CHEBI:85016 - N-henicosanoylsphinganine-1-phosphocholine

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ChEBI Name N-henicosanoylsphinganine-1-phosphocholine
ChEBI ID CHEBI:85016
ChEBI ASCII Name N-henicosanoylsphinganine-1-phosphocholine
Definition A N-acylsphinganine-1-phosphocholine in which the acyl group specified is henicosanoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C44H91N2O6P
Net Charge 0
Average Mass 775.17690
Monoisotopic Mass 774.66148
InChI InChI=1S/C44H91N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-38-44(48)45-42(41-52-53(49,50)51-40-39-46(3,4)5)43(47)37-35-33-31-29-27-25-19-17-15-13-11-9-7-2/h42-43,47H,6-41H2,1-5H3,(H-,45,48,49,50)/t42-,43+/m0/s1
InChIKey RKFZWGKFJRROLE-WZYYJWNZSA-N
SMILES CCCCCCCCCCCCCCCCCCCCC(=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-henicosanoylsphinganine-1-phosphocholine (CHEBI:85016) has functional parent henicosanoic acid (CHEBI:39248)
N-henicosanoylsphinganine-1-phosphocholine (CHEBI:85016) has role mouse metabolite (CHEBI:75771)
N-henicosanoylsphinganine-1-phosphocholine (CHEBI:85016) is a N-acylsphinganine-1-phosphocholine (CHEBI:67090)
IUPAC Name
(2S,3R)-2-(henicosanoylamino)-3-hydroxyoctadecyl 2-(trimethylammonio)ethyl phosphate
Synonym Source
SM (d18:0/21:0) ChEBI
Last Modified
25 February 2015