CHEBI:74532 - N-docosanoylsphingosine-1-phosphocholine

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ChEBI Name N-docosanoylsphingosine-1-phosphocholine
ChEBI ID CHEBI:74532
ChEBI ASCII Name N-docosanoylsphingosine-1-phosphocholine
Definition A sphingomyelin d18:1 in which the N-acyl group is specified as docosanoyl
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C45H91N2O6P
Net Charge 0
Average Mass 787.189
Monoisotopic Mass 786.66148
InChI InChI=1S/C45H91N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h36,38,43-44,48H,6-35,37,39-42H2,1-5H3,(H-,46,49,50,51)/b38-36+/t43-,44+/m0/s1
InChIKey FJJANLYCZUNFSE-TWKUQIQBSA-N
SMILES C(CCCCCCCCCC)CC\C=C\[C@@H](O)[C@@H](NC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
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-docosanoylsphingosine-1-phosphocholine (CHEBI:74532) has functional parent docosanoic acid (CHEBI:28941)
N-docosanoylsphingosine-1-phosphocholine (CHEBI:74532) has role mouse metabolite (CHEBI:75771)
N-docosanoylsphingosine-1-phosphocholine (CHEBI:74532) is a sphingomyelin 40:1 (CHEBI:72528)
N-docosanoylsphingosine-1-phosphocholine (CHEBI:74532) is a sphingomyelin d18:1 (CHEBI:17636)
IUPAC Name
(2S,3R,4E)-2-(docosanoylamino)-3-hydroxyoctadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
behenoyl sphingomyelin ChEBI
behenoyl sphingomyelin (d18:1/22:0) ChEBI
C22 Sphingomyelin LIPID MAPS
N-(docosanoyl)-sphing-4-enine-1-phosphocholine ChEBI
N-(docosanoyl)-sphingosine-1-phosphocholine ChEBI
SM(d18:1/22:0) LIPID MAPS
sphingomyelin (d18:1/22:0) ChEBI
Manual Xrefs Databases
HMDB0012103 HMDB
LMSP03010006 LIPID MAPS
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Last Modified
03 October 2016