CHEBI:64485 - N-pentadecanoylsphingosine-1-phosphocholine

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ChEBI Name N-pentadecanoylsphingosine-1-phosphocholine
ChEBI ID CHEBI:64485
ChEBI ASCII Name N-pentadecanoylsphingosine-1-phosphocholine
Definition A sphingomyelin d18:1 in which the amino group of sphingosine is substituted by a pentadecanoyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C38H77N2O6P
Net Charge 0
Average Mass 689.00150
Monoisotopic Mass 688.55193
InChI InChI=1S/C38H77N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-37(41)36(35-46-47(43,44)45-34-33-40(3,4)5)39-38(42)32-30-28-26-24-22-19-17-15-13-11-9-7-2/h29,31,36-37,41H,6-28,30,32-35H2,1-5H3,(H-,39,42,43,44)/b31-29+/t36-,37+/m0/s1
InChIKey LQINJRUGTUOHGS-YPDYIYJKSA-N
SMILES [H][C@@](O)(\C=C\CCCCCCCCCCCCC)[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCC
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 33:1 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-pentadecanoylsphingosine-1-phosphocholine (CHEBI:64485) has functional parent pentadecanoic acid (CHEBI:42504)
N-pentadecanoylsphingosine-1-phosphocholine (CHEBI:64485) has role mouse metabolite (CHEBI:75771)
N-pentadecanoylsphingosine-1-phosphocholine (CHEBI:64485) is a sphingomyelin 33:1 (CHEBI:64585)
N-pentadecanoylsphingosine-1-phosphocholine (CHEBI:64485) is a sphingomyelin d18:1 (CHEBI:17636)
IUPAC Name
(2S,3R,4E)-3-hydroxy-2-(pentadecanoylamino)octadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphate
Synonyms Sources
N-(pentadecanoyl)-sphing-4-enine-1-phosphocholine LIPID MAPS
SM(33:1) ChEBI
SM(d18:1/15:0) LIPID MAPS
Manual Xref Database
LMSP03010038 LIPID MAPS
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Citation Waiting for Citations Type Source
19347970 PubMed citation Europe PMC
Last Modified
24 February 2015