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CHEBI:72966 - N-docosanoylsphingosine

ChEBI IDCHEBI:72966
ChEBI NameN-docosanoylsphingosine
Stars
ASCII NameN-docosanoylsphingosine
DefinitionA N-acylsphingosine in which the ceramide N-acyl group is specified as docosanoyl.
Last Modified30 June 2017
SubmitterAlan Bridge
DownloadsMolfile
FormulaC40H79NO3
Net Charge0
Average Mass622.076
Monoisotopic Mass621.60600
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=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
InChIKeyKEPQASGDXIEOIL-GLQCRSEXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Roles:
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).
ChEBI Ontology
Outgoing Relation(s)
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  Source
C22 CerLIPID MAPS
Ceramide (d18:1/22:0)HMDB
Cer(d18:1/22:0)LIPID MAPS
N-behenoylsphingosineLIPID MAPS
N-(docosanoyl)ceramideLIPID MAPS
N-(docosanoyl)sphing-4-enineSUBMITTER
UniProt Name  Source
N-(docosanoyl)-sphing-4-enineUniProt
Manual XrefsDatabases
HMDB0004952HMDB
LMSP02010008LIPID MAPS
Registry NumbersSources
Reaxys:7317372Reaxys