CHEBI:84488 - N-heptadecanoylsphingosine-1-phosphocholine

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ChEBI Name N-heptadecanoylsphingosine-1-phosphocholine
ChEBI ID CHEBI:84488
ChEBI ASCII Name N-heptadecanoylsphingosine-1-phosphocholine
Definition A sphingomyelin d18:1 in which the acyl group specified is heptadecanoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C40H81N2O6P
Net Charge 0
Average Mass 717.05470
Monoisotopic Mass 716.58323
InChI InChI=1S/C40H81N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(44)41-38(37-48-49(45,46)47-36-35-42(3,4)5)39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h31,33,38-39,43H,6-30,32,34-37H2,1-5H3,(H-,41,44,45,46)/b33-31+/t38-,39+/m0/s1
InChIKey YMQZQHIESOAPQH-JXGHDCMNSA-N
SMILES CCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCCCCC
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-heptadecanoylsphingosine-1-phosphocholine (CHEBI:84488) has functional parent heptadecanoic acid (CHEBI:32365)
N-heptadecanoylsphingosine-1-phosphocholine (CHEBI:84488) has role mouse metabolite (CHEBI:75771)
N-heptadecanoylsphingosine-1-phosphocholine (CHEBI:84488) is a sphingomyelin 35:1 (CHEBI:133629)
N-heptadecanoylsphingosine-1-phosphocholine (CHEBI:84488) is a sphingomyelin d18:1 (CHEBI:17636)
IUPAC Name
(2S,3R,4E)-2-(heptadecanoylamino)-3-hydroxyoctadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphate
Synonyms Sources
N-(heptadecanoyl)-sphing-4-enine-1-phosphocholine LIPID MAPS
SM(d18:1/17:0) LIPID MAPS
Manual Xref Database
LMSP03010044 LIPID MAPS
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Last Modified
29 September 2017