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CHEBI:67035 - N-octadecanoyl-4-hydroxysphinganine

ChEBI IDCHEBI:67035
ChEBI NameN-octadecanoyl-4-hydroxysphinganine
Stars
ASCII NameN-octadecanoyl-4-hydroxysphinganine
DefinitionA phytoceramide in which the ceramide N-acyl group is specified as octadecanoyl (stearoyl).
Last Modified8 October 2020
SubmitterAlan Bridge
DownloadsMolfile
FormulaC36H73NO4
Net Charge0
Average Mass583.983
Monoisotopic Mass583.55396
SMILESCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C36H73NO4/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-35(40)37-33(32-38)36(41)34(39)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h33-34,36,38-39,41H,3-32H2,1-2H3,(H,37,40)/t33-,34+,36-/m0/s1
InChIKeyIEZRNEGTKRQRFV-LFBNJJMOSA-N
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
N-octadecanoyl-4-hydroxysphinganine (CHEBI:67035) is a N-acylphytosphingosine (CHEBI:31998)
N-octadecanoyl-4-hydroxysphinganine (CHEBI:67035) is a N-stearoyl-sphingoid base (CHEBI:144711)
IUPAC Name 
N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]octadecanamide
Synonyms  Source
PHC-B 18:0/18:0SUBMITTER
Cer(t18:0/18:0)SUBMITTER
N-stearoylphytoceramideChEBI
N-stearoylphytosphingosineChEBI
N-octadecanoylphytoceramideChEBI
N-octadecanoylphytosphingosineChEBI
UniProt Name  Source
N-octadecanoyl-(4R)-hydroxysphinganineUniProt
Manual XrefsDatabases
LMSP02030006LIPID MAPS
Registry NumbersSources
Reaxys:8963541Reaxys