CHEBI:84504 - N-heptadecanoylsphinganine-1-phosphocholine

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ChEBI Name N-heptadecanoylsphinganine-1-phosphocholine
ChEBI ID CHEBI:84504
ChEBI ASCII Name N-heptadecanoylsphinganine-1-phosphocholine
Definition A N-acylsphinganine-1-phosphocholine in which the acyl group specified is heptadecanoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C40H83N2O6P
Net Charge 0
Average Mass 719.07060
Monoisotopic Mass 718.59888
InChI InChI=1S/C40H83N2O6P/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/h38-39,43H,6-37H2,1-5H3,(H-,41,44,45,46)/t38-,39+/m0/s1
InChIKey GKFSHMJHEJYCCJ-ZESVVUHVSA-N
SMILES CCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC
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-heptadecanoylsphinganine-1-phosphocholine (CHEBI:84504) has functional parent heptadecanoic acid (CHEBI:32365)
N-heptadecanoylsphinganine-1-phosphocholine (CHEBI:84504) has role mouse metabolite (CHEBI:75771)
N-heptadecanoylsphinganine-1-phosphocholine (CHEBI:84504) is a N-acylsphinganine-1-phosphocholine (CHEBI:67090)
IUPAC Name
(2S,3R)-2-(heptadecanoylamino)-3-hydroxyoctadecyl 2-(trimethylammonio)ethyl phosphate
Synonyms Sources
N-(heptadecanoyl)-sphinganine-1-phosphocholine LIPID MAPS
SM(d18:0/17:0) LIPID MAPS
Manual Xref Database
LMSP03010046 LIPID MAPS
View more database links
Last Modified
24 February 2015