CHEBI:84484 - N-heneicosanoylsphingosine-1-phosphocholine

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ChEBI Name N-heneicosanoylsphingosine-1-phosphocholine
ChEBI ID CHEBI:84484
ChEBI ASCII Name N-heneicosanoylsphingosine-1-phosphocholine
Definition A sphingomyelin d18:1 in which the acyl group specified is heneicosanoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C44H89N2O6P
Net Charge 0
Average Mass 773.16100
Monoisotopic Mass 772.64583
InChI InChI=1S/C44H89N2O6P/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/h35,37,42-43,47H,6-34,36,38-41H2,1-5H3,(H-,45,48,49,50)/b37-35+/t42-,43+/m0/s1
InChIKey YXSZOBWVQJIWNE-QVDCKBILSA-N
SMILES CCCCCCCCCCCCCCCCCCCCC(=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-heneicosanoylsphingosine-1-phosphocholine (CHEBI:84484) has functional parent henicosanoic acid (CHEBI:39248)
N-heneicosanoylsphingosine-1-phosphocholine (CHEBI:84484) has role mouse metabolite (CHEBI:75771)
N-heneicosanoylsphingosine-1-phosphocholine (CHEBI:84484) is a sphingomyelin d18:1 (CHEBI:17636)
IUPAC Name
(2S,3R,4E)-2-(henicosanoyloxy)-3-hydroxyoctadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphate
Synonym Source
SM(d18:1/21:0) LIPID MAPS
Last Modified
24 February 2015