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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2008-10-16 22:33:06 UTC
Update Date2021-09-14 15:45:53 UTC
HMDB IDHMDB0011118
Secondary Accession Numbers
  • HMDB11118
Metabolite Identification
Common NameSe-Adenosylselenomethionine
DescriptionSe-Adenosylselenomethionine belongs to the class of organic compounds known as 5'-deoxyribonucleosides. These are nucleosides in which the oxygen atom at the 5'position of the ribose moiety has been replaced by another atom. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives. Se-Adenosylselenomethionine is a very strong basic compound (based on its pKa). Se-Adenosylselenomethionine exists in all living organisms, ranging from bacteria to humans. Within humans, se-adenosylselenomethionine participates in a number of enzymatic reactions. In particular, se-adenosylselenomethionine can be converted into se-adenosylselenohomocysteine; which is mediated by the enzyme methyltransferase-like protein 6. In addition, se-adenosylselenomethionine and phosphoric acid can be biosynthesized from selenomethionine; which is catalyzed by the enzyme S-adenosylmethionine synthase. In humans, se-adenosylselenomethionine is involved in selenoamino acid metabolism.
Structure
Data?1582752869
SynonymsNot Available
Chemical FormulaC15H23N6O5Se
Average Molecular Weight446.34
Monoisotopic Molecular Weight447.089514704
IUPAC Name(3-amino-3-carboxypropyl)({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl})methylselanium
Traditional Namese-adenosylselenomethionine
CAS Registry NumberNot Available
SMILES
C[Se+](CCC(N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N
InChI Identifier
InChI=1S/C15H22N6O5Se/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7?,8-,10-,11-,14-,27?/m1/s1
InChI KeyGGJFWMOVUFBSIN-YDBXVIPQSA-O
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 5'-deoxyribonucleosides. These are nucleosides in which the oxygen atom at the 5'position of the ribose moiety has been replaced by another atom. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
Class5'-deoxyribonucleosides
Sub ClassNot Available
Direct Parent5'-deoxyribonucleosides
Alternative Parents
Substituents
  • 5'-deoxyribonucleoside
  • N-glycosyl compound
  • Glycosyl compound
  • Pentose monosaccharide
  • 6-aminopurine
  • Alpha-amino acid
  • Alpha-amino acid or derivatives
  • Imidazopyrimidine
  • Purine
  • Aminopyrimidine
  • N-substituted imidazole
  • Monosaccharide
  • Pyrimidine
  • Imidolactam
  • Imidazole
  • Tetrahydrofuran
  • Heteroaromatic compound
  • Azole
  • Secondary alcohol
  • 1,2-diol
  • Amino acid or derivatives
  • Amino acid
  • Oxacycle
  • Azacycle
  • Carboxylic acid derivative
  • Carboxylic acid
  • Organoheterocyclic compound
  • Selenoether
  • Monocarboxylic acid or derivatives
  • Organic oxide
  • Organopnictogen compound
  • Alcohol
  • Carbonyl group
  • Organic oxygen compound
  • Organic nitrogen compound
  • Amine
  • Primary amine
  • Primary aliphatic amine
  • Hydrocarbon derivative
  • Organoselenium compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic cation
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Process
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.79 g/LALOGPS
logP-1.9ALOGPS
logP-5.1ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)1.6ChemAxon
pKa (Strongest Basic)9.41ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area182.63 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity103.59 m³·mol⁻¹ChemAxon
Polarizability39.61 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+181.77630932474
DeepCCS[M-H]-179.3830932474
DeepCCS[M-2H]-212.68930932474
DeepCCS[M+Na]+188.18930932474
AllCCS[M+H]+192.832859911
AllCCS[M+H-H2O]+191.032859911
AllCCS[M+NH4]+194.432859911
AllCCS[M+Na]+194.832859911
AllCCS[M-H]-175.832859911
AllCCS[M+Na-2H]-175.932859911
AllCCS[M+HCOO]-176.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Se-AdenosylselenomethionineC[Se+](CCC(N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N3942.3Standard polar33892256
Se-AdenosylselenomethionineC[Se+](CCC(N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N3038.9Standard non polar33892256
Se-AdenosylselenomethionineC[Se+](CCC(N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N3759.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Se-Adenosylselenomethionine,1TMS,isomer #1C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O3473.8Semi standard non polar33892256
Se-Adenosylselenomethionine,1TMS,isomer #2C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3540.6Semi standard non polar33892256
Se-Adenosylselenomethionine,1TMS,isomer #3C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3545.0Semi standard non polar33892256
Se-Adenosylselenomethionine,1TMS,isomer #4C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O3579.3Semi standard non polar33892256
Se-Adenosylselenomethionine,1TMS,isomer #5C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3596.8Semi standard non polar33892256
Se-Adenosylselenomethionine,2TMS,isomer #1C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3416.2Semi standard non polar33892256
Se-Adenosylselenomethionine,2TMS,isomer #10C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3555.0Semi standard non polar33892256
Se-Adenosylselenomethionine,2TMS,isomer #11C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O3591.9Semi standard non polar33892256
Se-Adenosylselenomethionine,2TMS,isomer #12C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3523.1Semi standard non polar33892256
Se-Adenosylselenomethionine,2TMS,isomer #2C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3417.3Semi standard non polar33892256
Se-Adenosylselenomethionine,2TMS,isomer #3C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O3429.4Semi standard non polar33892256
Se-Adenosylselenomethionine,2TMS,isomer #4C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3456.4Semi standard non polar33892256
Se-Adenosylselenomethionine,2TMS,isomer #5C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3423.6Semi standard non polar33892256
Se-Adenosylselenomethionine,2TMS,isomer #6C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3469.6Semi standard non polar33892256
Se-Adenosylselenomethionine,2TMS,isomer #7C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3507.1Semi standard non polar33892256
Se-Adenosylselenomethionine,2TMS,isomer #8C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3467.7Semi standard non polar33892256
Se-Adenosylselenomethionine,2TMS,isomer #9C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3502.5Semi standard non polar33892256
Se-Adenosylselenomethionine,3TMS,isomer #1C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3352.5Semi standard non polar33892256
Se-Adenosylselenomethionine,3TMS,isomer #10C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3431.0Semi standard non polar33892256
Se-Adenosylselenomethionine,3TMS,isomer #11C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3473.8Semi standard non polar33892256
Se-Adenosylselenomethionine,3TMS,isomer #12C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3502.2Semi standard non polar33892256
Se-Adenosylselenomethionine,3TMS,isomer #13C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3427.7Semi standard non polar33892256
Se-Adenosylselenomethionine,3TMS,isomer #14C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3479.1Semi standard non polar33892256
Se-Adenosylselenomethionine,3TMS,isomer #15C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3515.0Semi standard non polar33892256
Se-Adenosylselenomethionine,3TMS,isomer #16C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3439.6Semi standard non polar33892256
Se-Adenosylselenomethionine,3TMS,isomer #17C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3600.1Semi standard non polar33892256
Se-Adenosylselenomethionine,3TMS,isomer #18C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3496.2Semi standard non polar33892256
Se-Adenosylselenomethionine,3TMS,isomer #2C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3354.3Semi standard non polar33892256
Se-Adenosylselenomethionine,3TMS,isomer #3C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3420.3Semi standard non polar33892256
Se-Adenosylselenomethionine,3TMS,isomer #4C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3368.0Semi standard non polar33892256
Se-Adenosylselenomethionine,3TMS,isomer #5C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3423.4Semi standard non polar33892256
Se-Adenosylselenomethionine,3TMS,isomer #6C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3437.1Semi standard non polar33892256
Se-Adenosylselenomethionine,3TMS,isomer #7C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O3509.4Semi standard non polar33892256
Se-Adenosylselenomethionine,3TMS,isomer #8C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3423.3Semi standard non polar33892256
Se-Adenosylselenomethionine,3TMS,isomer #9C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3375.9Semi standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #1C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3311.0Semi standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #1C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3322.9Standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #1C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4839.7Standard polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #10C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3409.0Semi standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #10C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3400.4Standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #10C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4435.1Standard polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #11C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3428.1Semi standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #11C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3433.2Standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #11C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4730.7Standard polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #12C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3437.3Semi standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #12C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3447.2Standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #12C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4928.9Standard polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #13C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3399.9Semi standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #13C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3405.1Standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #13C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4818.1Standard polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #14C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3533.5Semi standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #14C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3519.2Standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #14C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O4822.0Standard polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #15C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3429.2Semi standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #15C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3440.0Standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #15C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O4469.4Standard polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #16C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3542.9Semi standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #16C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3505.2Standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #16C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C4786.3Standard polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #17C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3437.0Semi standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #17C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3431.4Standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #17C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C4430.0Standard polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #18C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3584.8Semi standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #18C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3542.3Standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #18C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4593.4Standard polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #2C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3396.1Semi standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #2C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3349.9Standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #2C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4959.4Standard polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #3C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3396.5Semi standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #3C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3391.2Standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #3C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O4689.8Standard polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #4C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3466.1Semi standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #4C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3425.2Standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #4C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O4914.8Standard polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #5C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3399.6Semi standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #5C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3375.8Standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #5C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O4673.9Standard polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #6C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3406.0Semi standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #6C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3380.8Standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #6C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C4650.9Standard polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #7C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3476.5Semi standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #7C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3410.9Standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #7C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C4894.0Standard polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #8C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3406.5Semi standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #8C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3368.7Standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #8C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C4649.6Standard polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #9C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3556.5Semi standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #9C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3482.3Standard non polar33892256
Se-Adenosylselenomethionine,4TMS,isomer #9C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4819.7Standard polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #1C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3388.1Semi standard non polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #1C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3410.0Standard non polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #1C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4371.3Standard polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #10C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3414.8Semi standard non polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #10C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3430.5Standard non polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #10C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4157.7Standard polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #11C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3557.5Semi standard non polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #11C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3518.7Standard non polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #11C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O4260.8Standard polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #12C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3560.5Semi standard non polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #12C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3511.1Standard non polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #12C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C4226.8Standard polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #2C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3452.1Semi standard non polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #2C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3411.1Standard non polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #2C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4722.5Standard polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #3C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3411.8Semi standard non polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #3C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3353.9Standard non polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #3C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4456.5Standard polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #4C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3534.7Semi standard non polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #4C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3492.7Standard non polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #4C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O4485.8Standard polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #5C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3400.3Semi standard non polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #5C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3387.9Standard non polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #5C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O4114.2Standard polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #6C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3539.7Semi standard non polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #6C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3481.1Standard non polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #6C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C4450.4Standard polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #7C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3407.9Semi standard non polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #7C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3384.4Standard non polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #7C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C4074.4Standard polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #8C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3576.6Semi standard non polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #8C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3488.1Standard non polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #8C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4253.1Standard polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #9C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3511.3Semi standard non polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #9C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3519.2Standard non polar33892256
Se-Adenosylselenomethionine,5TMS,isomer #9C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4500.3Standard polar33892256
Se-Adenosylselenomethionine,6TMS,isomer #1C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3541.9Semi standard non polar33892256
Se-Adenosylselenomethionine,6TMS,isomer #1C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3485.5Standard non polar33892256
Se-Adenosylselenomethionine,6TMS,isomer #1C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4239.3Standard polar33892256
Se-Adenosylselenomethionine,6TMS,isomer #2C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3432.0Semi standard non polar33892256
Se-Adenosylselenomethionine,6TMS,isomer #2C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3377.7Standard non polar33892256
Se-Adenosylselenomethionine,6TMS,isomer #2C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3845.6Standard polar33892256
Se-Adenosylselenomethionine,6TMS,isomer #3C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3576.6Semi standard non polar33892256
Se-Adenosylselenomethionine,6TMS,isomer #3C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3465.7Standard non polar33892256
Se-Adenosylselenomethionine,6TMS,isomer #3C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3965.2Standard polar33892256
Se-Adenosylselenomethionine,6TMS,isomer #4C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3582.3Semi standard non polar33892256
Se-Adenosylselenomethionine,6TMS,isomer #4C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3458.7Standard non polar33892256
Se-Adenosylselenomethionine,6TMS,isomer #4C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3927.4Standard polar33892256
Se-Adenosylselenomethionine,6TMS,isomer #5C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3558.4Semi standard non polar33892256
Se-Adenosylselenomethionine,6TMS,isomer #5C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3491.4Standard non polar33892256
Se-Adenosylselenomethionine,6TMS,isomer #5C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3982.3Standard polar33892256
Se-Adenosylselenomethionine,1TBDMS,isomer #1C[Se+](CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O3719.6Semi standard non polar33892256
Se-Adenosylselenomethionine,1TBDMS,isomer #2C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3753.7Semi standard non polar33892256
Se-Adenosylselenomethionine,1TBDMS,isomer #3C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3755.8Semi standard non polar33892256
Se-Adenosylselenomethionine,1TBDMS,isomer #4C[Se+](CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O3793.1Semi standard non polar33892256
Se-Adenosylselenomethionine,1TBDMS,isomer #5C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3797.3Semi standard non polar33892256
Se-Adenosylselenomethionine,2TBDMS,isomer #1C[Se+](CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3865.8Semi standard non polar33892256
Se-Adenosylselenomethionine,2TBDMS,isomer #10C[Se+](CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3941.3Semi standard non polar33892256
Se-Adenosylselenomethionine,2TBDMS,isomer #11C[Se+](CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4007.3Semi standard non polar33892256
Se-Adenosylselenomethionine,2TBDMS,isomer #12C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3882.5Semi standard non polar33892256
Se-Adenosylselenomethionine,2TBDMS,isomer #2C[Se+](CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3864.8Semi standard non polar33892256
Se-Adenosylselenomethionine,2TBDMS,isomer #3C[Se+](CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O3850.5Semi standard non polar33892256
Se-Adenosylselenomethionine,2TBDMS,isomer #4C[Se+](CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3865.5Semi standard non polar33892256
Se-Adenosylselenomethionine,2TBDMS,isomer #5C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3864.2Semi standard non polar33892256
Se-Adenosylselenomethionine,2TBDMS,isomer #6C[Se+](CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3892.1Semi standard non polar33892256
Se-Adenosylselenomethionine,2TBDMS,isomer #7C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3888.2Semi standard non polar33892256
Se-Adenosylselenomethionine,2TBDMS,isomer #8C[Se+](CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3889.2Semi standard non polar33892256
Se-Adenosylselenomethionine,2TBDMS,isomer #9C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3884.7Semi standard non polar33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #1C[Se+](CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3976.3Semi standard non polar33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #10C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3992.1Semi standard non polar33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #11C[Se+](CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4012.3Semi standard non polar33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #12C[Se+](CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4122.6Semi standard non polar33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #13C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4000.6Semi standard non polar33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #14C[Se+](CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4010.7Semi standard non polar33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #15C[Se+](CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4123.5Semi standard non polar33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #16C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4002.6Semi standard non polar33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #17C[Se+](CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4159.8Semi standard non polar33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #18C[Se+](CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4018.9Semi standard non polar33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #2C[Se+](CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3938.4Semi standard non polar33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #3C[Se+](CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3979.5Semi standard non polar33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #4C[Se+](CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3941.1Semi standard non polar33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #5C[Se+](CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3978.7Semi standard non polar33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #6C[Se+](CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3968.0Semi standard non polar33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #7C[Se+](CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4074.4Semi standard non polar33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #8C[Se+](CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3961.2Semi standard non polar33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #9C[Se+](CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3976.1Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Se-Adenosylselenomethionine GC-MS (Non-derivatized) - 70eV, Positivesplash10-054o-4930100000-0041602079c881f352492017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Se-Adenosylselenomethionine GC-MS (3 TMS) - 70eV, Positivesplash10-0002-6461009000-23d3936ab6dca5b415252017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Se-Adenosylselenomethionine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosylselenomethionine 10V, Positive-QTOFsplash10-0fdk-1111900000-55d8b11590c5059255422017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosylselenomethionine 20V, Positive-QTOFsplash10-000i-0900100000-9e48eb33b69c552c3bfd2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosylselenomethionine 40V, Positive-QTOFsplash10-002s-1900000000-e957401a05c2eed92d7b2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosylselenomethionine 10V, Positive-QTOFsplash10-0002-0200900000-449ba819bd316d43da5f2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosylselenomethionine 20V, Positive-QTOFsplash10-000i-0901000000-ab97c005ef418a07d3c12021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosylselenomethionine 40V, Positive-QTOFsplash10-0a4r-2900000000-942f4bdddc395ff80eab2021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB027900
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound24892761
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDSEASMET
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

General function:
Involved in methionine adenosyltransferase activity
Specific function:
Catalyzes the formation of S-adenosylmethionine from methionine and ATP.
Gene Name:
MAT2A
Uniprot ID:
P31153
Molecular weight:
43660.37
Reactions
Adenosine triphosphate + Selenomethionine + Water → Phosphate + Pyrophosphate + Se-Adenosylselenomethioninedetails
General function:
Involved in methionine adenosyltransferase activity
Specific function:
Catalyzes the formation of S-adenosylmethionine from methionine and ATP.
Gene Name:
MAT1A
Uniprot ID:
Q00266
Molecular weight:
43647.6
Reactions
Adenosine triphosphate + Selenomethionine + Water → Phosphate + Pyrophosphate + Se-Adenosylselenomethioninedetails
General function:
Involved in protein methyltransferase activity
Specific function:
Methylates (mono and asymmetric dimethylation) the guanidino nitrogens of arginyl residues in some proteins
Gene Name:
PRMT3
Uniprot ID:
O60678
Molecular weight:
59902.7
General function:
Involved in dTDP-4-dehydrorhamnose reductase activity
Specific function:
Non-catalytic regulatory subunit of S-adenosylmethionine synthetase 2 (MAT2A), an enzyme that catalyzes the formation of S-adenosylmethionine from methionine and ATP. Regulates the activity of S-adenosylmethionine synthetase 2 by changing its kinetic properties, rendering the enzyme more susceptible to S-adenosylmethionine inhibition.
Gene Name:
MAT2B
Uniprot ID:
Q9NZL9
Molecular weight:
Not Available
Reactions
Adenosine triphosphate + Selenomethionine + Water → Phosphate + Pyrophosphate + Se-Adenosylselenomethioninedetails
General function:
Not Available
Specific function:
N5-glutamine methyltransferase responsible for the methylation of the GGQ triplet of the mitochondrial translation release factor MTRF1L.
Gene Name:
HEMK1
Uniprot ID:
Q9Y5R4
Molecular weight:
Not Available
Reactions
R + Se-Adenosylselenomethionine → CH3-R + Se-Adenosylselenohomocysteinedetails
General function:
Not Available
Specific function:
Probable methyltransferase (By similarity).
Gene Name:
METTL2B
Uniprot ID:
Q6P1Q9
Molecular weight:
Not Available
Reactions
R + Se-Adenosylselenomethionine → CH3-R + Se-Adenosylselenohomocysteinedetails
General function:
Not Available
Specific function:
Probable methyltransferase (By similarity).
Gene Name:
METTL6
Uniprot ID:
Q8TCB7
Molecular weight:
Not Available
Reactions
R + Se-Adenosylselenomethionine → CH3-R + Se-Adenosylselenohomocysteinedetails
General function:
Not Available
Specific function:
Methyltransferase that may act on DNA.
Gene Name:
WBSCR22
Uniprot ID:
O43709
Molecular weight:
Not Available
Reactions
R + Se-Adenosylselenomethionine → CH3-R + Se-Adenosylselenohomocysteinedetails