CHEBI:90494 - N-(11Z-icosenoyl)-sphingosine-1-phosphocholine

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ChEBI Name N-(11Z-icosenoyl)-sphingosine-1-phosphocholine
ChEBI ID CHEBI:90494
ChEBI ASCII Name N-(11Z-icosenoyl)-sphingosine-1-phosphocholine
Definition A sphingomyelin d18:1 in which the ceramide N-acyl group is specified as (11Z)-icosenoyl.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C43H85N2O6P
Net Charge 0
Average Mass 757.120
Monoisotopic Mass 756.61453
InChI InChI=1S/C43H85N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-43(47)44-41(40-51-52(48,49)50-39-38-45(3,4)5)42(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h20-21,34,36,41-42,46H,6-19,22-33,35,37-40H2,1-5H3,(H-,44,47,48,49)/b21-20-,36-34+/t41-,42+/m0/s1
InChIKey MDRFMTLYKHBJTF-NQYLGBTJSA-N
SMILES C(CCCCCCCCCC)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCC/C=C\CCCCCCCC)=O)COP(=O)([O-])OCC[N+](C)(C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-(11Z-icosenoyl)-sphingosine-1-phosphocholine (CHEBI:90494) has functional parent (11Z)-icos-11-enoic acid (CHEBI:32425)
N-(11Z-icosenoyl)-sphingosine-1-phosphocholine (CHEBI:90494) has role mouse metabolite (CHEBI:75771)
N-(11Z-icosenoyl)-sphingosine-1-phosphocholine (CHEBI:90494) is a sphingomyelin 38:2 (CHEBI:72524)
N-(11Z-icosenoyl)-sphingosine-1-phosphocholine (CHEBI:90494) is a sphingomyelin d18:1 (CHEBI:17636)
IUPAC Name
(2S,3R,4E)-3-hydroxy-2-{[(11Z)-icos-11-enoyl]amino}octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
N-(11Z-eicosenoyl)-sphing-4-enine-1-phosphocholine ChEBI
N-(11Z-eicosenoyl)-sphingosine-1-phosphocholine ChEBI
N-(11Z-icosenoyl)-sphing-4-enine-1-phosphocholine ChEBI
SM d18:1/20:1 ChEBI
SM(d18:1/20:1) LIPID MAPS
Manual Xref Database
LMSP03010059 LIPID MAPS
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Last Modified
01 July 2016