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CHEBI:72961 - N-octadecanoylsphingosine

ChEBI IDCHEBI:72961
ChEBI NameN-octadecanoylsphingosine
Stars
ASCII NameN-octadecanoylsphingosine
DefinitionA N-acylsphingosine in which the ceramide N-acyl group is specified as octadecanoyl (stearoyl).
Last Modified19 November 2018
SubmitterAlan Bridge
DownloadsMolfile
FormulaC36H71NO3
Net Charge0
Average Mass565.968
Monoisotopic Mass565.54340
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C36H71NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,34-35,38-39H,3-28,30,32-33H2,1-2H3,(H,37,40)/b31-29+/t34-,35+/m0/s1
InChIKeyVODZWWMEJITOND-NXCSZAMKSA-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-octadecanoylsphingosine (CHEBI:72961) has functional parent octadecanoic acid (CHEBI:28842)
N-octadecanoylsphingosine (CHEBI:72961) has role mouse metabolite (CHEBI:75771)
N-octadecanoylsphingosine (CHEBI:72961) is a N-acylsphingosine (CHEBI:52639)
N-octadecanoylsphingosine (CHEBI:72961) is a N-stearoyl-sphingoid base (CHEBI:144711)
IUPAC Name 
N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]octadecanamide
Synonyms  Source
C18 CerLIPID MAPS
Ceramide (d18:1/18:0)HMDB
Cer(d18:1/18:0)LIPID MAPS
N-(octadecanoyl)ceramideLIPID MAPS
N-(octadecanoyl)sphing-4-enineSUBMITTER
N-octadecanoylsphing-4-enineSUBMITTER
UniProt Name  Source
N-octadecanoylsphing-4-enineUniProt
Manual XrefsDatabases
HMDB0004950HMDB
LMSP02010006LIPID MAPS
Registry NumbersSources
Reaxys:1717539Reaxys
Citations