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CHEBI:72962 - N-icosanoylsphingosine

ChEBI IDCHEBI:72962
ChEBI NameN-icosanoylsphingosine
Stars
ASCII NameN-icosanoylsphingosine
DefinitionA N-acylsphingosine in which the ceramide N-acyl group is specified as eicosanoyl.
Last Modified22 November 2018
SubmitterAlan Bridge
DownloadsMolfile
FormulaC38H75NO3
Net Charge0
Average Mass594.022
Monoisotopic Mass593.57470
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C38H75NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h31,33,36-37,40-41H,3-30,32,34-35H2,1-2H3,(H,39,42)/b33-31+/t36-,37+/m0/s1
InChIKeyXWBWIAOWSABHFI-NUKVNZTCSA-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-icosanoylsphingosine (CHEBI:72962) has functional parent icosanoic acid (CHEBI:28822)
N-icosanoylsphingosine (CHEBI:72962) has role mouse metabolite (CHEBI:75771)
N-icosanoylsphingosine (CHEBI:72962) is a N-acylsphingosine (CHEBI:52639)
N-icosanoylsphingosine (CHEBI:72962) is a Cer(d38:1) (CHEBI:137570)
IUPAC Name 
N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]icosanamide
Synonyms  Source
Cer(d18:1/20:0)LIPID MAPS
N-eicosanoylsphingosineSUBMITTER
N-eicosanoylsphing-4-enineSUBMITTER
N-(eicosanoyl)sphing-4-enineSUBMITTER
N-(icosanoyl)sphing-4-enineChEBI
N-icosanoylsphing-4-enineChEBI
UniProt Name  Source
N-eicosanoyl-sphing-4-enineUniProt
Manual XrefsDatabases
LMSP02010007LIPID MAPS
HMDB0004951HMDB
Registry NumbersSources
Reaxys:7316231Reaxys