CHEBI:86086 - N-[(11Z)-octadecenoyl]-sphingosine-1-phosphocholine

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ChEBI Name N-[(11Z)-octadecenoyl]-sphingosine-1-phosphocholine
ChEBI ID CHEBI:86086
ChEBI ASCII Name N-[(11Z)-octadecenoyl]-sphingosine-1-phosphocholine
Definition A N-octadecenoylsphingosine-1-phosphocholine in which the acyl group specified is (11Z)-octadecenoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C41H81N2O6P
Net Charge 0
Average Mass 729.06540
Monoisotopic Mass 728.58323
InChI InChI=1S/C41H81N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h16,18,32,34,39-40,44H,6-15,17,19-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/b18-16-,34-32+/t39-,40+/m0/s1
InChIKey FZMKZVXNTLAHFD-RTEXEOPXSA-N
SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCC\C=C/CCCCCC
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-[(11Z)-octadecenoyl]-sphingosine-1-phosphocholine (CHEBI:86086) has role metabolite (CHEBI:25212)
N-[(11Z)-octadecenoyl]-sphingosine-1-phosphocholine (CHEBI:86086) is a sphingomyelin d18:1/18:1 (CHEBI:85593)
IUPAC Name
(2S,3R,4E)-3-hydroxy-2-{[(11Z)-octadec-11-enoyl]oxy}octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
SM(d18:1/18:1(11Z)) ChEBI
Sphingomyelin (d18:1/18:1(11Z)) HMDB
Manual Xref Database
HMDB0012100 HMDB
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Last Modified
23 January 2018