CHEBI:64487 - N-(9Z-hexadecenoyl)sphingosine-1-phosphocholine

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ChEBI Name N-(9Z-hexadecenoyl)sphingosine-1-phosphocholine
ChEBI ID CHEBI:64487
ChEBI ASCII Name N-(9Z-hexadecenoyl)sphingosine-1-phosphocholine
Definition A N-hexadecenoylsphingosine-1-phosphocholine in which the amino group of sphingosine is in amide linkage with a 9Z-hexadecenoyl fatty acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C39H77N2O6P
Net Charge 0
Average Mass 701.01220
Monoisotopic Mass 700.55193
InChI InChI=1S/C39H77N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,30,32,37-38,42H,6-16,18,20-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b19-17-,32-30+/t37-,38+/m0/s1
InChIKey OAHFTKWSJGVMTG-MBIABJCFSA-N
SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCC\C=C/CCCCCC
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).
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via sphingomyelin 34:2 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-(9Z-hexadecenoyl)sphingosine-1-phosphocholine (CHEBI:64487) has role mouse metabolite (CHEBI:75771)
N-(9Z-hexadecenoyl)sphingosine-1-phosphocholine (CHEBI:64487) is a N-hexadecenoylsphingosine-1-phosphocholine (CHEBI:85592)
IUPAC Name
(2S,3R,4E)-2-[(9Z)-hexadec-9-enoylamino]-3-hydroxyoctadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphate
Synonyms Sources
N-(9Z-hexadecenoyl)-sphing-4-enine-1-phosphocholine LIPID MAPS
SM(34:2) ChEBI
SM(d18:1/16:1) LIPID MAPS
Manual Xref Database
LMSP03010041 LIPID MAPS
View more database links
Citation Waiting for Citations Type Source
19347970 PubMed citation Europe PMC
Last Modified
27 April 2015