CHEBI:132058 - N-pentacosanoylsphingosine-1-phosphocholine

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ChEBI Name N-pentacosanoylsphingosine-1-phosphocholine
ChEBI ID CHEBI:132058
ChEBI ASCII Name N-pentacosanoylsphingosine-1-phosphocholine
Definition A sphingomyelin d18:1 obtained by formal condensation of the carboxy group of pentacosanoic acid with the amino group of sphingosine.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C48H97N2O6P
Net Charge 0
Average Mass 829.269
Monoisotopic Mass 828.70843
InChI InChI=1S/C48H97N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-48(52)49-46(45-56-57(53,54)55-44-43-50(3,4)5)47(51)41-39-37-35-33-31-29-19-17-15-13-11-9-7-2/h39,41,46-47,51H,6-38,40,42-45H2,1-5H3,(H-,49,52,53,54)/b41-39+/t46-,47+/m0/s1
InChIKey JONXXLXMISNQNG-BXMSAMRLSA-N
SMILES C(CCCCCCCCCCCCCCCCCCCCCCCC)(N[C@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)COP(OCC[N+](C)(C)C)(=O)[O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
ChEBI Ontology
Outgoing N-pentacosanoylsphingosine-1-phosphocholine (CHEBI:132058) has functional parent pentacosanoic acid (CHEBI:39420)
N-pentacosanoylsphingosine-1-phosphocholine (CHEBI:132058) is a sphingomyelin 43:1 (CHEBI:132059)
N-pentacosanoylsphingosine-1-phosphocholine (CHEBI:132058) is a sphingomyelin d18:1 (CHEBI:17636)
IUPAC Name
(2S,3R,4E)-3-hydroxy-2-(pentacosanoylamino)octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
C25-Sphingomyelin LIPID MAPS
N-(pentacosanoyl)-sphing-4-enine-1-phosphocholine LIPID MAPS
N-pentacosanoylsphing-4-enine-1-phosphocholine ChEBI
SM(d18:1/25:0) LIPID MAPS
sphingomyelin d18:1/25:0 ChEBI
Manual Xref Database
LMSP03010027 LIPID MAPS
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Last Modified
07 December 2016