CHEBI:132478 - sphinganine-1-phosphocholine

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ChEBI Name sphinganine-1-phosphocholine
ChEBI ID CHEBI:132478
Definition A phosphosphingolipid consisting of sphinganine having a phosphocholine group attached to its primary hydroxyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C23H51N2O5P
Net Charge 0
Average Mass 466.636
Monoisotopic Mass 466.35356
InChI InChI=1S/C23H51N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h22-23,26H,5-21,24H2,1-4H3/t22-,23+/m0/s1
InChIKey GSEOJHIBPQRSNH-XZOQPEGZSA-N
SMILES O=P(OCC[N+](C)(C)C)(OC[C@H](N)[C@@H](CCCCCCCCCCCCCCC)O)[O-]
Metabolite of Species Details
Calanus helgolandicus (NCBI:txid114068) See: MetaboLights Study
Calanus helgolandicus (NCBI:txid114068) See: PubMed
Roles Classification
Biological Role(s): marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing sphinganine-1-phosphocholine (CHEBI:132478) has functional parent sphinganine (CHEBI:16566)
sphinganine-1-phosphocholine (CHEBI:132478) has role marine metabolite (CHEBI:76507)
sphinganine-1-phosphocholine (CHEBI:132478) is a ammonium betaine (CHEBI:35284)
sphinganine-1-phosphocholine (CHEBI:132478) is a phosphocholines (CHEBI:36700)
sphinganine-1-phosphocholine (CHEBI:132478) is a phosphosphingolipid (CHEBI:35786)
IUPAC Name
(2S,3R)-2-amino-3-hydroxyoctadecyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
dihydrosphingosine-1-phosphocholine ChEBI
dihydrosphingosylphosphorylcholine ChEBI
LysoSM(d18:0) ChEBI
SM(d18:0/0:0) LIPID MAPS
Manual Xref Database
LMSP01060002 LIPID MAPS
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Registry Number Type Source
9819448 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
26364855 PubMed citation Europe PMC
Last Modified
13 January 2017