CHEBI:72966 - N-docosanoylsphingosine

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ChEBI Name N-docosanoylsphingosine
ChEBI ID CHEBI:72966
ChEBI ASCII Name N-docosanoylsphingosine
Definition A N-acylsphingosine in which the ceramide N-acyl group is specified as docosanoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Alan Bridge
Supplier Information
Download Molfile XML SDF
Formula C40H79NO3
Net Charge 0
Average Mass 622.06020
Monoisotopic Mass 621.60600
InChI InChI=1S/C40H79NO3/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/h33,35,38-39,42-43H,3-32,34,36-37H2,1-2H3,(H,41,44)/b35-33+/t38-,39+/m0/s1
InChIKey KEPQASGDXIEOIL-GLQCRSEXSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[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).
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-docosanoylsphingosine (CHEBI:72966) has functional parent docosanoic acid (CHEBI:28941)
N-docosanoylsphingosine (CHEBI:72966) has role mouse metabolite (CHEBI:75771)
N-docosanoylsphingosine (CHEBI:72966) is a N-acylsphingosine (CHEBI:52639)
N-docosanoylsphingosine (CHEBI:72966) is a Cer(d40:1) (CHEBI:137571)
IUPAC Name
N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]docosanamide
Synonyms Sources
C22 Cer LIPID MAPS
Cer(d18:1/22:0) LIPID MAPS
Ceramide (d18:1/22:0) HMDB
N-(docosanoyl)-sphing-4-enine UniProt
N-(docosanoyl)ceramide LIPID MAPS
N-(docosanoyl)sphing-4-enine SUBMITTER
N-behenoylsphingosine LIPID MAPS
N-docosanoylsphing-4-enine SUBMITTER
Manual Xrefs Databases
HMDB0004952 HMDB
LMSP02010008 LIPID MAPS
View more database links
Registry Number Type Source
7317372 Reaxys Registry Number Reaxys
Last Modified
30 June 2017