CHEBI:84701 - N-[(13Z)-docosenoyl]sphingosine

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ChEBI Name N-[(13Z)-docosenoyl]sphingosine
ChEBI ID CHEBI:84701
ChEBI ASCII Name N-[(13Z)-docosenoyl]sphingosine
Definition A N-acylsphingosine in which the acyl group specified is (13Z)-docosenoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C40H77NO3
Net Charge 0
Average Mass 620.04430
Monoisotopic Mass 619.59035
InChI InChI=1S/C40H77NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h17-18,33,35,38-39,42-43H,3-16,19-32,34,36-37H2,1-2H3,(H,41,44)/b18-17-,35-33+/t38-,39+/m0/s1
InChIKey YHMJTZZWEXBHQK-MUDOESHNSA-N
SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)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).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via N-acylsphingosine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-[(13Z)-docosenoyl]sphingosine (CHEBI:84701) has role mouse metabolite (CHEBI:75771)
N-[(13Z)-docosenoyl]sphingosine (CHEBI:84701) is a N-acylsphingosine (CHEBI:52639)
IUPAC Name
(13Z)-N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]docos-13-enamide
Synonyms Sources
Cer(d18:1/22:1(13Z)) HMDB
N-(13Z-docosenoyl)-sphing-4-enine UniProt
Manual Xref Database
HMDB0011775 HMDB
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Last Modified
06 May 2020