Hmdb loader
Survey
You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Human Metabolome Database.
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2022-03-07 02:49:09 UTC
HMDB IDHMDB0001383
Secondary Accession Numbers
  • HMDB01383
Metabolite Identification
Common NameSphinganine 1-phosphate
DescriptionSphinganine 1-phosphate belongs to the class of organic compounds known as phosphosphingolipids. These are sphingolipids with a structure based on a sphingoid base that is attached to a phosphate head group. They differ from phosphonospingolipids which have a phosphonate head group. Sphinganine 1-phosphate is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.
Structure
Data?1594154074
Synonyms
ValueSource
(2S,3R)-2-Amino-3-hydroxyoctadecyl dihydrogen phosphateChEBI
Dihydrosphingosine 1-phosphateChEBI
Dihydrosphingosine-1-phosphateChEBI
(2S,3R)-2-Amino-3-hydroxyoctadecyl dihydrogen phosphoric acidGenerator
Dihydrosphingosine 1-phosphoric acidGenerator
Dihydrosphingosine-1-phosphoric acidGenerator
Sphinganine 1-phosphoric acidGenerator
2-Amino-3-hydroxyoctadecyl dihydrogen phosphateHMDB
Chemical FormulaC18H40NO5P
Average Molecular Weight381.4877
Monoisotopic Molecular Weight381.264409907
IUPAC Name{[(2S,3R)-2-amino-3-hydroxyoctadecyl]oxy}phosphonic acid
Traditional Namedihydrosphingosine 1-phosphate
CAS Registry Number19794-97-9
SMILES
CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(O)(O)=O
InChI Identifier
InChI=1S/C18H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h17-18,20H,2-16,19H2,1H3,(H2,21,22,23)/t17-,18+/m0/s1
InChI KeyYHEDRJPUIRMZMP-ZWKOTPCHSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phosphosphingolipids. These are sphingolipids with a structure based on a sphingoid base that is attached to a phosphate head group. They differ from phosphonospingolipids which have a phosphonate head group.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassSphingolipids
Sub ClassPhosphosphingolipids
Direct ParentPhosphosphingolipids
Alternative Parents
Substituents
  • Sphingoid-1-phosphate or derivatives
  • Phosphoethanolamine
  • Monoalkyl phosphate
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • 1,2-aminoalcohol
  • Secondary alcohol
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Primary amine
  • Organic oxide
  • Organopnictogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxygen compound
  • Primary aliphatic amine
  • Amine
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effect
Disposition
Biological locationRoute of exposureSource
Process
Role
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 Solubility0.0057 g/LALOGPS
logP3.8ALOGPS
logP3.64ChemAxon
logS-4.8ALOGPS
pKa (Strongest Acidic)1.52ChemAxon
pKa (Strongest Basic)9.75ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area113.01 ŲChemAxon
Rotatable Bond Count18ChemAxon
Refractivity101.8 m³·mol⁻¹ChemAxon
Polarizability45.32 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+198.46431661259
DarkChem[M-H]-193.38531661259
AllCCS[M+H]+203.34132859911
AllCCS[M-H]-195.11632859911
DeepCCS[M+H]+194.74330932474
DeepCCS[M-H]-191.51730932474
DeepCCS[M-2H]-225.86430932474
DeepCCS[M+Na]+202.4930932474
AllCCS[M+H]+203.332859911
AllCCS[M+H-H2O]+201.032859911
AllCCS[M+NH4]+205.532859911
AllCCS[M+Na]+206.132859911
AllCCS[M-H]-195.132859911
AllCCS[M+Na-2H]-196.632859911
AllCCS[M+HCOO]-198.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Sphinganine 1-phosphateCCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(O)(O)=O3489.1Standard polar33892256
Sphinganine 1-phosphateCCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(O)(O)=O2779.3Standard non polar33892256
Sphinganine 1-phosphateCCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(O)(O)=O3086.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Sphinganine 1-phosphate,1TMS,isomer #1CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C)[C@@H](N)COP(=O)(O)O2949.7Semi standard non polar33892256
Sphinganine 1-phosphate,1TMS,isomer #2CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(=O)(O)O[Si](C)(C)C2976.4Semi standard non polar33892256
Sphinganine 1-phosphate,1TMS,isomer #3CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O)O)N[Si](C)(C)C3003.7Semi standard non polar33892256
Sphinganine 1-phosphate,2TMS,isomer #1CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C)[C@@H](N)COP(=O)(O)O[Si](C)(C)C2989.0Semi standard non polar33892256
Sphinganine 1-phosphate,2TMS,isomer #1CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C)[C@@H](N)COP(=O)(O)O[Si](C)(C)C2918.2Standard non polar33892256
Sphinganine 1-phosphate,2TMS,isomer #1CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C)[C@@H](N)COP(=O)(O)O[Si](C)(C)C4157.0Standard polar33892256
Sphinganine 1-phosphate,2TMS,isomer #2CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O)O)N[Si](C)(C)C2999.8Semi standard non polar33892256
Sphinganine 1-phosphate,2TMS,isomer #2CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O)O)N[Si](C)(C)C2978.2Standard non polar33892256
Sphinganine 1-phosphate,2TMS,isomer #2CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O)O)N[Si](C)(C)C4134.2Standard polar33892256
Sphinganine 1-phosphate,2TMS,isomer #3CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3002.3Semi standard non polar33892256
Sphinganine 1-phosphate,2TMS,isomer #3CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2951.1Standard non polar33892256
Sphinganine 1-phosphate,2TMS,isomer #3CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4004.1Standard polar33892256
Sphinganine 1-phosphate,2TMS,isomer #4CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O)O[Si](C)(C)C)N[Si](C)(C)C3044.5Semi standard non polar33892256
Sphinganine 1-phosphate,2TMS,isomer #4CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O)O[Si](C)(C)C)N[Si](C)(C)C2979.1Standard non polar33892256
Sphinganine 1-phosphate,2TMS,isomer #4CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O)O[Si](C)(C)C)N[Si](C)(C)C3798.2Standard polar33892256
Sphinganine 1-phosphate,2TMS,isomer #5CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C3131.8Semi standard non polar33892256
Sphinganine 1-phosphate,2TMS,isomer #5CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C3036.8Standard non polar33892256
Sphinganine 1-phosphate,2TMS,isomer #5CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C4201.4Standard polar33892256
Sphinganine 1-phosphate,3TMS,isomer #1CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C)[C@@H](N)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3024.7Semi standard non polar33892256
Sphinganine 1-phosphate,3TMS,isomer #1CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C)[C@@H](N)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2951.1Standard non polar33892256
Sphinganine 1-phosphate,3TMS,isomer #1CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C)[C@@H](N)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3766.2Standard polar33892256
Sphinganine 1-phosphate,3TMS,isomer #2CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O)O[Si](C)(C)C)N[Si](C)(C)C3046.7Semi standard non polar33892256
Sphinganine 1-phosphate,3TMS,isomer #2CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O)O[Si](C)(C)C)N[Si](C)(C)C3000.1Standard non polar33892256
Sphinganine 1-phosphate,3TMS,isomer #2CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O)O[Si](C)(C)C)N[Si](C)(C)C3531.9Standard polar33892256
Sphinganine 1-phosphate,3TMS,isomer #3CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C3157.7Semi standard non polar33892256
Sphinganine 1-phosphate,3TMS,isomer #3CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C3070.8Standard non polar33892256
Sphinganine 1-phosphate,3TMS,isomer #3CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C3867.3Standard polar33892256
Sphinganine 1-phosphate,3TMS,isomer #4CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C3081.1Semi standard non polar33892256
Sphinganine 1-phosphate,3TMS,isomer #4CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C3046.9Standard non polar33892256
Sphinganine 1-phosphate,3TMS,isomer #4CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C3361.0Standard polar33892256
Sphinganine 1-phosphate,3TMS,isomer #5CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3160.9Semi standard non polar33892256
Sphinganine 1-phosphate,3TMS,isomer #5CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3077.4Standard non polar33892256
Sphinganine 1-phosphate,3TMS,isomer #5CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3630.5Standard polar33892256
Sphinganine 1-phosphate,4TMS,isomer #1CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C3051.7Semi standard non polar33892256
Sphinganine 1-phosphate,4TMS,isomer #1CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C3012.1Standard non polar33892256
Sphinganine 1-phosphate,4TMS,isomer #1CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C3107.3Standard polar33892256
Sphinganine 1-phosphate,4TMS,isomer #2CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3208.0Semi standard non polar33892256
Sphinganine 1-phosphate,4TMS,isomer #2CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3061.1Standard non polar33892256
Sphinganine 1-phosphate,4TMS,isomer #2CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3366.2Standard polar33892256
Sphinganine 1-phosphate,4TMS,isomer #3CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3206.4Semi standard non polar33892256
Sphinganine 1-phosphate,4TMS,isomer #3CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3110.3Standard non polar33892256
Sphinganine 1-phosphate,4TMS,isomer #3CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3225.4Standard polar33892256
Sphinganine 1-phosphate,5TMS,isomer #1CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3278.4Semi standard non polar33892256
Sphinganine 1-phosphate,5TMS,isomer #1CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3071.3Standard non polar33892256
Sphinganine 1-phosphate,5TMS,isomer #1CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3032.2Standard polar33892256
Sphinganine 1-phosphate,1TBDMS,isomer #1CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)COP(=O)(O)O3203.4Semi standard non polar33892256
Sphinganine 1-phosphate,1TBDMS,isomer #2CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(=O)(O)O[Si](C)(C)C(C)(C)C3209.3Semi standard non polar33892256
Sphinganine 1-phosphate,1TBDMS,isomer #3CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O)O)N[Si](C)(C)C(C)(C)C3244.7Semi standard non polar33892256
Sphinganine 1-phosphate,2TBDMS,isomer #1CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)COP(=O)(O)O[Si](C)(C)C(C)(C)C3456.8Semi standard non polar33892256
Sphinganine 1-phosphate,2TBDMS,isomer #1CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)COP(=O)(O)O[Si](C)(C)C(C)(C)C3248.7Standard non polar33892256
Sphinganine 1-phosphate,2TBDMS,isomer #1CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)COP(=O)(O)O[Si](C)(C)C(C)(C)C4181.7Standard polar33892256
Sphinganine 1-phosphate,2TBDMS,isomer #2CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(O)O)N[Si](C)(C)C(C)(C)C3460.7Semi standard non polar33892256
Sphinganine 1-phosphate,2TBDMS,isomer #2CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(O)O)N[Si](C)(C)C(C)(C)C3342.2Standard non polar33892256
Sphinganine 1-phosphate,2TBDMS,isomer #2CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(O)O)N[Si](C)(C)C(C)(C)C4122.0Standard polar33892256
Sphinganine 1-phosphate,2TBDMS,isomer #3CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3484.2Semi standard non polar33892256
Sphinganine 1-phosphate,2TBDMS,isomer #3CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3269.6Standard non polar33892256
Sphinganine 1-phosphate,2TBDMS,isomer #3CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4083.8Standard polar33892256
Sphinganine 1-phosphate,2TBDMS,isomer #4CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3522.1Semi standard non polar33892256
Sphinganine 1-phosphate,2TBDMS,isomer #4CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3318.7Standard non polar33892256
Sphinganine 1-phosphate,2TBDMS,isomer #4CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3885.7Standard polar33892256
Sphinganine 1-phosphate,2TBDMS,isomer #5CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3596.3Semi standard non polar33892256
Sphinganine 1-phosphate,2TBDMS,isomer #5CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3404.3Standard non polar33892256
Sphinganine 1-phosphate,2TBDMS,isomer #5CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4185.4Standard polar33892256
Sphinganine 1-phosphate,3TBDMS,isomer #1CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3685.5Semi standard non polar33892256
Sphinganine 1-phosphate,3TBDMS,isomer #1CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3353.1Standard non polar33892256
Sphinganine 1-phosphate,3TBDMS,isomer #1CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3815.3Standard polar33892256
Sphinganine 1-phosphate,3TBDMS,isomer #2CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3725.1Semi standard non polar33892256
Sphinganine 1-phosphate,3TBDMS,isomer #2CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3462.4Standard non polar33892256
Sphinganine 1-phosphate,3TBDMS,isomer #2CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3664.3Standard polar33892256
Sphinganine 1-phosphate,3TBDMS,isomer #3CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3868.6Semi standard non polar33892256
Sphinganine 1-phosphate,3TBDMS,isomer #3CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3531.8Standard non polar33892256
Sphinganine 1-phosphate,3TBDMS,isomer #3CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3893.5Standard polar33892256
Sphinganine 1-phosphate,3TBDMS,isomer #4CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3757.6Semi standard non polar33892256
Sphinganine 1-phosphate,3TBDMS,isomer #4CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3466.2Standard non polar33892256
Sphinganine 1-phosphate,3TBDMS,isomer #4CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3568.7Standard polar33892256
Sphinganine 1-phosphate,3TBDMS,isomer #5CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3870.7Semi standard non polar33892256
Sphinganine 1-phosphate,3TBDMS,isomer #5CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3527.2Standard non polar33892256
Sphinganine 1-phosphate,3TBDMS,isomer #5CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3733.1Standard polar33892256
Sphinganine 1-phosphate,4TBDMS,isomer #1CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3964.8Semi standard non polar33892256
Sphinganine 1-phosphate,4TBDMS,isomer #1CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3549.5Standard non polar33892256
Sphinganine 1-phosphate,4TBDMS,isomer #1CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3426.3Standard polar33892256
Sphinganine 1-phosphate,4TBDMS,isomer #2CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4114.9Semi standard non polar33892256
Sphinganine 1-phosphate,4TBDMS,isomer #2CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3635.9Standard non polar33892256
Sphinganine 1-phosphate,4TBDMS,isomer #2CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3558.0Standard polar33892256
Sphinganine 1-phosphate,4TBDMS,isomer #3CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4131.4Semi standard non polar33892256
Sphinganine 1-phosphate,4TBDMS,isomer #3CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3656.7Standard non polar33892256
Sphinganine 1-phosphate,4TBDMS,isomer #3CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3491.7Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Sphinganine 1-phosphate GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-4910000000-711eb3339b5799f5551f2016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Sphinganine 1-phosphate GC-MS (1 TMS) - 70eV, Positivesplash10-0006-9712000000-d3f905278b0c98d96e212017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Sphinganine 1-phosphate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Sphinganine 1-phosphate 20V, Positive-QTOFsplash10-001i-0092000000-c380cef639a76f98b5d22021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sphinganine 1-phosphate 20V, Positive-QTOFsplash10-001i-0091000000-cd799d86547cdbc576fd2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sphinganine 1-phosphate 20V, Positive-QTOFsplash10-001i-0092000000-ca0e502c70b5513a4d0e2021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sphinganine 1-phosphate 10V, Positive-QTOFsplash10-02ai-0096000000-dbafed0491e9c794b6532016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sphinganine 1-phosphate 20V, Positive-QTOFsplash10-0159-1191000000-8eba0bc6a08b306ade372016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sphinganine 1-phosphate 40V, Positive-QTOFsplash10-03dm-6980000000-5d1a644d3395595f3a2e2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sphinganine 1-phosphate 10V, Negative-QTOFsplash10-003s-8019000000-89a5c40259a01d528cfe2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sphinganine 1-phosphate 20V, Negative-QTOFsplash10-004i-9010000000-c58d4e7b8dd266ebb8002016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sphinganine 1-phosphate 40V, Negative-QTOFsplash10-004i-9000000000-67c93080b619a8be70dc2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sphinganine 1-phosphate 10V, Negative-QTOFsplash10-001i-2009000000-f0dd423d086ac14ad6d62021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sphinganine 1-phosphate 20V, Negative-QTOFsplash10-004i-9000000000-e1f5b79920ef4f1ff1092021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sphinganine 1-phosphate 40V, Negative-QTOFsplash10-004i-9000000000-a5e502a2627af2048a1f2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sphinganine 1-phosphate 10V, Positive-QTOFsplash10-001i-2179000000-80cef27c29d75c429aa82021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sphinganine 1-phosphate 20V, Positive-QTOFsplash10-014i-2190000000-46af6fd14fe789f145f92021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sphinganine 1-phosphate 40V, Positive-QTOFsplash10-0a4l-9110000000-3a5962a17ce1beb8cda72021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Membrane
  • Endoplasmic reticulum
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.097 +/- 0.015 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.013 +/- 0.0005 uMAdult (>18 years old)BothNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022594
KNApSAcK IDC00007541
Chemspider ID559277
KEGG Compound IDC01120
BioCyc IDCPD-649
BiGG ID1485322
Wikipedia LinkNot Available
METLIN ID3512
PubChem Compound644260
PDB IDNot Available
ChEBI ID16893
Food Biomarker OntologyNot Available
VMH IDSPH1P
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceSchick, Andreas; Kolter, Thomas; Giannis, Athanassios; Sandhoff, Konrad. Synthesis of phosphoramide analogs of sphinganine-1-phosphate. Tetrahedron (1996), 52(8), 2945-56.
Material Safety Data Sheet (MSDS)Download (PDF)
General ReferencesNot Available

Only showing the first 10 proteins. There are 50 proteins in total.

Enzymes

General function:
Involved in catalytic activity
Specific function:
Catalyzes the conversion of phosphatidic acid (PA) to diacylglycerol (DG). In addition it hydrolyzes lysophosphatidic acid (LPA), ceramide-1-phosphate (C-1-P) and sphingosine-1-phosphate (S-1-P). The relative catalytic efficiency is PA > C-1-P > LPA > S-1-P.
Gene Name:
PPAP2C
Uniprot ID:
O43688
Molecular weight:
32573.435
Reactions
Sphinganine 1-phosphate + Water → Sphinganine + Phosphatedetails
General function:
Involved in catalytic activity
Specific function:
Broad-specificity phosphohydrolase that dephosphorylates exogenous bioactive glycerolipids and sphingolipids. Catalyzes the conversion of phosphatidic acid (PA) to diacylglycerol (DG). Pivotal regulator of lysophosphatidic acid (LPA) signaling in the cardiovascular system. Major enzyme responsible of dephosphorylating LPA in platelets, which terminates signaling actions of LPA. May control circulating, and possibly also regulate localized, LPA levels resulting from platelet activation. It has little activity towards ceramide-1-phosphate (C-1-P) and sphingosine-1-phosphate (S-1-P). The relative catalytic efficiency is LPA > PA > S-1-P > C-1-P. It's down-regulation may contribute to the development of colon adenocarcinoma.
Gene Name:
PPAP2A
Uniprot ID:
O14494
Molecular weight:
32155.715
Reactions
Sphinganine 1-phosphate + Water → Sphinganine + Phosphatedetails
General function:
Involved in catalytic activity
Specific function:
Catalyzes the conversion of phosphatidic acid (PA) to diacylglycerol (DG). In addition it hydrolyzes lysophosphatidic acid (LPA), ceramide-1-phosphate (C-1-P) and sphingosine-1-phosphate (S-1-P). The relative catalytic efficiency is LPA = PA > C-1-P > S-1-P. May be involved in cell adhesion and in cell-cell interactions.
Gene Name:
PPAP2B
Uniprot ID:
O14495
Molecular weight:
35115.61
Reactions
Sphinganine 1-phosphate + Water → Sphinganine + Phosphatedetails
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
Catalyzes the formation of some glycolipid via the addition of N-acetylgalactosamine (GalNAc) in alpha-1,3-linkage to some substrate. Glycolipids probably serve for adherence of some pathogens
Gene Name:
GBGT1
Uniprot ID:
Q8N5D6
Molecular weight:
40126.9
General function:
Involved in N-acetylglucosaminylphosphatidylinositol de
Specific function:
Involved in the second step of GPI biosynthesis. De-N-acetylation of N-acetylglucosaminyl-phosphatidylinositol.
Gene Name:
PIGL
Uniprot ID:
Q9Y2B2
Molecular weight:
28530.965
General function:
Involved in phosphatidylinositol N-acetylglucosaminyltransferase activity
Specific function:
Part of the complex catalyzing the transfer of N-acetylglucosamine from UDP-N-acetylglucosamine to phosphatidylinositol, the first step of GPI biosynthesis.
Gene Name:
PIGQ
Uniprot ID:
Q9BRB3
Molecular weight:
65343.25
General function:
Involved in biosynthetic process
Specific function:
Necessary for the synthesis of N-acetylglucosaminyl-phosphatidylinositol, the very early intermediate in GPI-anchor biosynthesis.
Gene Name:
PIGA
Uniprot ID:
P37287
Molecular weight:
54126.065
General function:
Involved in phosphatidylinositol N-acetylglucosaminyltr
Specific function:
Part of the complex catalyzing the transfer of N-acetylglucosamine from UDP-N-acetylglucosamine to phosphatidylinositol, the first step of GPI biosynthesis.
Gene Name:
PIGH
Uniprot ID:
Q14442
Molecular weight:
21080.415
General function:
Involved in phosphatidylinositol N-acetylglucosaminyltr
Specific function:
Part of the complex catalyzing the transfer of N-acetylglucosamine from UDP-N-acetylglucosamine to phosphatidylinositol, the first step of GPI biosynthesis.
Gene Name:
PIGP
Uniprot ID:
P57054
Molecular weight:
18089.055
General function:
Involved in phosphatidylinositol N-acetylglucosaminyltransferase activity
Specific function:
Part of the complex catalyzing the transfer of N-acetylglucosamine from UDP-N-acetylglucosamine to phosphatidylinositol, the first step of GPI biosynthesis.
Gene Name:
PIGC
Uniprot ID:
Q92535
Molecular weight:
33582.18

Only showing the first 10 proteins. There are 50 proteins in total.