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CHEBI:84504 - N-heptadecanoylsphinganine-1-phosphocholine

ChEBI IDCHEBI:84504
ChEBI NameN-heptadecanoylsphinganine-1-phosphocholine
Stars
ASCII NameN-heptadecanoylsphinganine-1-phosphocholine
DefinitionA N-acylsphinganine-1-phosphocholine in which the acyl group specified is heptadecanoyl.
Last Modified24 February 2015
Submitternamrata
DownloadsMolfile
FormulaC40H83N2O6P
Net Charge0
Average Mass719.086
Monoisotopic Mass718.59888
SMILESCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC
InChIInChI=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
InChIKeyGKFSHMJHEJYCCJ-ZESVVUHVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
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  Source
N-(heptadecanoyl)-sphinganine-1-phosphocholineLIPID MAPS
SM(d18:0/17:0)LIPID MAPS
Manual XrefsDatabases
LMSP03010046LIPID MAPS