EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:86086
ChEBI NameN-[(11Z)-octadecenoyl]-sphingosine-1-phosphocholine
Stars
ASCII NameN-[(11Z)-octadecenoyl]-sphingosine-1-phosphocholine
DefinitionA N-octadecenoylsphingosine-1-phosphocholine in which the acyl group specified is (11Z)-octadecenoyl.
Last Modified23 January 2018
Submitternamrata
DownloadsMolfile
FormulaC41H81N2O6P
Net Charge0
Average Mass729.081
Monoisotopic Mass728.58322
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCCCCC
InChIInChI=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
InChIKeyFZMKZVXNTLAHFD-RTEXEOPXSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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  Source
Sphingomyelin (d18:1/18:1(11Z))HMDB
SM(d18:1/18:1(11Z))ChEBI
Manual XrefsDatabases
HMDB0012100HMDB