CHEBI:74533 - N-[(13Z)-docosenoyl]sphing-4-enine-1-phosphocholine

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ChEBI Name N-[(13Z)-docosenoyl]sphing-4-enine-1-phosphocholine
ChEBI ID CHEBI:74533
ChEBI ASCII Name N-[(13Z)-docosenoyl]sphing-4-enine-1-phosphocholine
Definition A sphingomyelin d18:1 in which the N-acyl group is specified as (13Z)-docosenoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C45H89N2O6P
Net Charge 0
Average Mass 785.17170
Monoisotopic Mass 784.64583
InChI InChI=1S/C45H89N2O6P/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/h20-21,36,38,43-44,48H,6-19,22-35,37,39-42H2,1-5H3,(H-,46,49,50,51)/b21-20-,38-36+/t43-,44+/m0/s1
InChIKey VBFKEZGCUWHGSK-ADSSWVSQSA-N
SMILES [H][C@@](O)(\C=C\CCCCCCCCCCCCC)[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC
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-[(13Z)-docosenoyl]sphing-4-enine-1-phosphocholine (CHEBI:74533) has functional parent erucic acid (CHEBI:28792)
N-[(13Z)-docosenoyl]sphing-4-enine-1-phosphocholine (CHEBI:74533) has role mouse metabolite (CHEBI:75771)
N-[(13Z)-docosenoyl]sphing-4-enine-1-phosphocholine (CHEBI:74533) is a N-docosenoylsphingosine-1-phosphocholine (CHEBI:83850)
IUPAC Name
(2S,3R,4E)-2-[(13Z)-docos-13-enoylamino]-3-hydroxyoctadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
C22:1 Sphingomyelin ChEBI
N-(13Z-docosenoyl)-sphing-4-enine-1-phosphocholine LIPID MAPS
SM(d18:1/22:1(13Z)) LIPID MAPS
SPH(d18:1/22:1(13Z)) HMDB
Sphingomyelin (d18:1/22:1(13Z)) HMDB
Manual Xrefs Databases
HMDB0012104 HMDB
LMSP03010072 LIPID MAPS
View more database links
Last Modified
23 October 2015