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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2009-04-06 16:22:01 UTC
Update Date2021-09-14 15:48:20 UTC
HMDB IDHMDB0012266
Secondary Accession Numbers
  • HMDB12266
Metabolite Identification
Common NameN-Succinyl-2-amino-6-ketopimelate
DescriptionN-Succinyl-2-amino-6-ketopimelate, also known as N-succinyl-2-amino-6-oxo-L-pimelic acid or N-succinyl-L-2-amino-6-oxoheptanedioate, belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom. N-Succinyl-2-amino-6-ketopimelate exists in all living organisms, ranging from bacteria to humans. N-Succinyl-2-amino-6-ketopimelate has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make N-succinyl-2-amino-6-ketopimelate a potential biomarker for the consumption of these foods. N-Succinyl-2-amino-6-ketopimelate is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review very few articles have been published on N-Succinyl-2-amino-6-ketopimelate.
Structure
Data?1582753035
Synonyms
ValueSource
N-Succinyl-2-amino-6-oxo-L-pimelic acidChEBI
N-Succinyl-epsilon-keto-L-aminopimelic acidChEBI
N-Succinyl-L-2-amino-6-oxoheptanedioateKegg
N-Succinyl-L-2-amino-6-oxopimelateKegg
(S)-2-(Succinylamino)-6-oxoheptanedioateKegg
N-Succinyl-2-amino-6-oxo-L-pimelateGenerator
N-Succinyl-epsilon-keto-L-aminopimelateGenerator
N-Succinyl-L-2-amino-6-oxoheptanedioic acidGenerator
N-Succinyl-L-2-amino-6-oxopimelic acidGenerator
(S)-2-(Succinylamino)-6-oxoheptanedioic acidGenerator
N-Succinyl-2-amino-6-ketopimelic acidGenerator
(2S)-2-(3-carboxypropanamido)-6-OxoheptanedioateHMDB
(2S)-2-(3-carboxypropanamido)-6-Oxoheptanedioic acidHMDB
L-2-succinylamino-6-OxoheptanedioateHMDB
L-2-succinylamino-6-Oxoheptanedioic acidHMDB
N-Succinyl-2-L-amino-6-oxoheptanedioateHMDB
N-Succinyl-2-L-amino-6-oxoheptanedioic acidHMDB
Succinyl-epsilon-keto-alpha-aminopimelateHMDB
Chemical FormulaC11H15NO8
Average Molecular Weight289.2387
Monoisotopic Molecular Weight289.079766461
IUPAC Name(2S)-2-(3-carboxypropanamido)-6-oxoheptanedioic acid
Traditional Name(2S)-2-(3-carboxypropanamido)-6-oxoheptanedioic acid
CAS Registry NumberNot Available
SMILES
OC(=O)CCC(=O)N[C@@H](CCCC(=O)C(O)=O)C(O)=O
InChI Identifier
InChI=1S/C11H15NO8/c13-7(11(19)20)3-1-2-6(10(17)18)12-8(14)4-5-9(15)16/h6H,1-5H2,(H,12,14)(H,15,16)(H,17,18)(H,19,20)/t6-/m0/s1
InChI KeySDVXSCSNVVZWDD-LURJTMIESA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentN-acyl-L-alpha-amino acids
Alternative Parents
Substituents
  • N-acyl-l-alpha-amino acid
  • Tricarboxylic acid or derivatives
  • Alpha-keto acid
  • Fatty amide
  • Keto acid
  • Fatty acyl
  • N-acyl-amine
  • Alpha-hydroxy ketone
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Ketone
  • Carboxylic acid
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Carbonyl group
  • Organic oxygen compound
  • Organic nitrogen compound
  • Organonitrogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Not AvailableNot 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 Solubility1.41 g/LALOGPS
logP-0.78ALOGPS
logP-0.55ChemAxon
logS-2.3ALOGPS
pKa (Strongest Acidic)2.78ChemAxon
pKa (Strongest Basic)-1.5ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area158.07 ŲChemAxon
Rotatable Bond Count10ChemAxon
Refractivity61.57 m³·mol⁻¹ChemAxon
Polarizability25.89 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+168.86931661259
DarkChem[M-H]-164.69231661259
DeepCCS[M+H]+163.55630932474
DeepCCS[M-H]-161.19830932474
DeepCCS[M-2H]-194.08430932474
DeepCCS[M+Na]+169.64930932474
AllCCS[M+H]+161.932859911
AllCCS[M+H-H2O]+158.932859911
AllCCS[M+NH4]+164.632859911
AllCCS[M+Na]+165.432859911
AllCCS[M-H]-162.332859911
AllCCS[M+Na-2H]-162.632859911
AllCCS[M+HCOO]-163.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
N-Succinyl-2-amino-6-ketopimelateOC(=O)CCC(=O)N[C@@H](CCCC(=O)C(O)=O)C(O)=O3875.6Standard polar33892256
N-Succinyl-2-amino-6-ketopimelateOC(=O)CCC(=O)N[C@@H](CCCC(=O)C(O)=O)C(O)=O1954.4Standard non polar33892256
N-Succinyl-2-amino-6-ketopimelateOC(=O)CCC(=O)N[C@@H](CCCC(=O)C(O)=O)C(O)=O2585.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
N-Succinyl-2-amino-6-ketopimelate,1TMS,isomer #1C[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCC(=O)C(=O)O)C(=O)O2499.2Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,1TMS,isomer #2C[Si](C)(C)OC(=O)C(=O)CCC[C@H](NC(=O)CCC(=O)O)C(=O)O2442.6Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,1TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](CCCC(=O)C(=O)O)NC(=O)CCC(=O)O2484.7Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,1TMS,isomer #4C[Si](C)(C)OC(=CCC[C@H](NC(=O)CCC(=O)O)C(=O)O)C(=O)O2562.6Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,1TMS,isomer #5C[Si](C)(C)N(C(=O)CCC(=O)O)[C@@H](CCCC(=O)C(=O)O)C(=O)O2518.9Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,2TMS,isomer #1C[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCC(=O)C(=O)O[Si](C)(C)C)C(=O)O2450.2Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,2TMS,isomer #10C[Si](C)(C)OC(=CCC[C@@H](C(=O)O)N(C(=O)CCC(=O)O)[Si](C)(C)C)C(=O)O2599.4Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,2TMS,isomer #2C[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCC(=O)C(=O)O)C(=O)O[Si](C)(C)C2498.9Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,2TMS,isomer #3C[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCC=C(O[Si](C)(C)C)C(=O)O)C(=O)O2567.9Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,2TMS,isomer #4C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCC(=O)C(=O)O)C(=O)O)[Si](C)(C)C2482.0Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,2TMS,isomer #5C[Si](C)(C)OC(=O)C(=O)CCC[C@H](NC(=O)CCC(=O)O)C(=O)O[Si](C)(C)C2437.2Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,2TMS,isomer #6C[Si](C)(C)OC(=O)C(=CCC[C@H](NC(=O)CCC(=O)O)C(=O)O)O[Si](C)(C)C2545.6Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,2TMS,isomer #7C[Si](C)(C)OC(=O)C(=O)CCC[C@@H](C(=O)O)N(C(=O)CCC(=O)O)[Si](C)(C)C2448.5Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,2TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CCC=C(O[Si](C)(C)C)C(=O)O)NC(=O)CCC(=O)O2565.2Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,2TMS,isomer #9C[Si](C)(C)OC(=O)[C@H](CCCC(=O)C(=O)O)N(C(=O)CCC(=O)O)[Si](C)(C)C2505.6Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,3TMS,isomer #1C[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCC(=O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2527.6Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,3TMS,isomer #10C[Si](C)(C)OC(=O)[C@H](CCC=C(O[Si](C)(C)C)C(=O)O)N(C(=O)CCC(=O)O)[Si](C)(C)C2589.5Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,3TMS,isomer #2C[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCC=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O2543.1Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,3TMS,isomer #3C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCC(=O)C(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2456.1Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,3TMS,isomer #4C[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCC=C(O[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C2590.9Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,3TMS,isomer #5C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCC(=O)C(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2524.0Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,3TMS,isomer #6C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCC=C(O[Si](C)(C)C)C(=O)O)C(=O)O)[Si](C)(C)C2584.5Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,3TMS,isomer #7C[Si](C)(C)OC(=O)C(=CCC[C@H](NC(=O)CCC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C2533.7Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,3TMS,isomer #8C[Si](C)(C)OC(=O)C(=O)CCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CCC(=O)O)[Si](C)(C)C2491.1Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,3TMS,isomer #9C[Si](C)(C)OC(=O)C(=CCC[C@@H](C(=O)O)N(C(=O)CCC(=O)O)[Si](C)(C)C)O[Si](C)(C)C2563.6Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,4TMS,isomer #1C[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCC=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2541.5Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,4TMS,isomer #1C[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCC=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2511.3Standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,4TMS,isomer #1C[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCC=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2882.4Standard polar33892256
N-Succinyl-2-amino-6-ketopimelate,4TMS,isomer #2C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCC(=O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2508.3Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,4TMS,isomer #2C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCC(=O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2484.7Standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,4TMS,isomer #2C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCC(=O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2751.5Standard polar33892256
N-Succinyl-2-amino-6-ketopimelate,4TMS,isomer #3C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCC=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2528.4Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,4TMS,isomer #3C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCC=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2549.1Standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,4TMS,isomer #3C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCC=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C3019.1Standard polar33892256
N-Succinyl-2-amino-6-ketopimelate,4TMS,isomer #4C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCC=C(O[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2596.9Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,4TMS,isomer #4C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCC=C(O[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2575.1Standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,4TMS,isomer #4C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCC=C(O[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C3037.4Standard polar33892256
N-Succinyl-2-amino-6-ketopimelate,4TMS,isomer #5C[Si](C)(C)OC(=O)C(=CCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CCC(=O)O)[Si](C)(C)C)O[Si](C)(C)C2538.4Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,4TMS,isomer #5C[Si](C)(C)OC(=O)C(=CCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CCC(=O)O)[Si](C)(C)C)O[Si](C)(C)C2511.1Standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,4TMS,isomer #5C[Si](C)(C)OC(=O)C(=CCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CCC(=O)O)[Si](C)(C)C)O[Si](C)(C)C2973.6Standard polar33892256
N-Succinyl-2-amino-6-ketopimelate,5TMS,isomer #1C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCC=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2505.5Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,5TMS,isomer #1C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCC=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2553.3Standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,5TMS,isomer #1C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCC=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2694.7Standard polar33892256
N-Succinyl-2-amino-6-ketopimelate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCC(=O)C(=O)O)C(=O)O2785.6Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(=O)CCC[C@H](NC(=O)CCC(=O)O)C(=O)O2732.1Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCC(=O)C(=O)O)NC(=O)CCC(=O)O2766.4Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=CCC[C@H](NC(=O)CCC(=O)O)C(=O)O)C(=O)O2808.9Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=O)CCC(=O)O)[C@@H](CCCC(=O)C(=O)O)C(=O)O2776.5Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCC(=O)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O2943.1Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=CCC[C@@H](C(=O)O)N(C(=O)CCC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O3040.9Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCC(=O)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C2980.4Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCC=C(O[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O3041.6Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCC(=O)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C2981.9Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(=O)CCC[C@H](NC(=O)CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C2918.9Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C(=CCC[C@H](NC(=O)CCC(=O)O)C(=O)O)O[Si](C)(C)C(C)(C)C2989.9Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C(=O)CCC[C@@H](C(=O)O)N(C(=O)CCC(=O)O)[Si](C)(C)C(C)(C)C2942.2Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC=C(O[Si](C)(C)C(C)(C)C)C(=O)O)NC(=O)CCC(=O)O3025.9Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCC(=O)C(=O)O)N(C(=O)CCC(=O)O)[Si](C)(C)C(C)(C)C2982.3Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCC(=O)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3180.1Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC=C(O[Si](C)(C)C(C)(C)C)C(=O)O)N(C(=O)CCC(=O)O)[Si](C)(C)C(C)(C)C3255.4Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCC=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O3212.2Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCC(=O)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3170.7Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCC=C(O[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C3284.9Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCC(=O)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3208.4Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCC=C(O[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C3283.1Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C(=CCC[C@H](NC(=O)CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3178.1Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C(=O)CCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(=O)O)[Si](C)(C)C(C)(C)C3155.7Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C(=CCC[C@@H](C(=O)O)N(C(=O)CCC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3211.6Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCC=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3398.0Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCC=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3121.8Standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCC=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3226.2Standard polar33892256
N-Succinyl-2-amino-6-ketopimelate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCC(=O)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3359.9Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCC(=O)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3177.9Standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCC(=O)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3196.3Standard polar33892256
N-Succinyl-2-amino-6-ketopimelate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCC=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3403.7Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCC=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3146.7Standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCC=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3294.5Standard polar33892256
N-Succinyl-2-amino-6-ketopimelate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCC=C(O[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3476.1Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCC=C(O[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3198.3Standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCC=C(O[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3318.4Standard polar33892256
N-Succinyl-2-amino-6-ketopimelate,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(=CCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3380.9Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(=CCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3108.9Standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(=CCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3273.1Standard polar33892256
N-Succinyl-2-amino-6-ketopimelate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCC=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3567.2Semi standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCC=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3282.1Standard non polar33892256
N-Succinyl-2-amino-6-ketopimelate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCC=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3186.0Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - N-Succinyl-2-amino-6-ketopimelate GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-9880000000-0f0ff4f7e373c0b3162c2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Succinyl-2-amino-6-ketopimelate GC-MS (3 TMS) - 70eV, Positivesplash10-00du-9408600000-fd466a0230c24aa5db922017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Succinyl-2-amino-6-ketopimelate 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 - N-Succinyl-2-amino-6-ketopimelate 10V, Positive-QTOFsplash10-0fkc-0290000000-2cf1a6c8c873c44c176a2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Succinyl-2-amino-6-ketopimelate 20V, Positive-QTOFsplash10-0fdo-1970000000-e6da5433a70177935ddd2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Succinyl-2-amino-6-ketopimelate 40V, Positive-QTOFsplash10-05i3-7900000000-a6e1749a519577b39b0b2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Succinyl-2-amino-6-ketopimelate 10V, Negative-QTOFsplash10-007c-0190000000-cfcf85c3db41c68abca22015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Succinyl-2-amino-6-ketopimelate 20V, Negative-QTOFsplash10-009g-1590000000-73abaab210b9727b9f162015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Succinyl-2-amino-6-ketopimelate 40V, Negative-QTOFsplash10-0006-5910000000-b01ea1042bed0446bc1c2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Succinyl-2-amino-6-ketopimelate 10V, Positive-QTOFsplash10-0006-0790000000-d2b9c6f92d7b004537932021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Succinyl-2-amino-6-ketopimelate 20V, Positive-QTOFsplash10-0abc-4930000000-f2f2e3269f8edd762cf82021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Succinyl-2-amino-6-ketopimelate 40V, Positive-QTOFsplash10-0pb9-9700000000-787d11c10df4c3cb6d652021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Succinyl-2-amino-6-ketopimelate 10V, Negative-QTOFsplash10-000l-0590000000-2961efd3a4f8e021c8932021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Succinyl-2-amino-6-ketopimelate 20V, Negative-QTOFsplash10-002g-0960000000-6adfe9927596ba357d752021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Succinyl-2-amino-6-ketopimelate 40V, Negative-QTOFsplash10-0006-9500000000-70678263ddcfe89f4fb62021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart 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 IDFDB028904
KNApSAcK IDC00007598
Chemspider ID389314
KEGG Compound IDC04462
BioCyc IDN-SUCCINYL-2-AMINO-6-KETOPIMELATE
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound440349
PDB IDNot Available
ChEBI ID35266
Food Biomarker OntologyNot Available
VMH IDSL2A6O
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available