EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:85204 - N-oleoylphytosphingosine

ChEBI IDCHEBI:85204
ChEBI NameN-oleoylphytosphingosine
Stars
ASCII NameN-oleoylphytosphingosine
DefinitionA phytoceramide in which the N-acyl group is specified as oleoyl (9Z-octadecenoyl).
Last Modified1 October 2020
Submitterlaimo
DownloadsMolfile
FormulaC36H71NO4
Net Charge0
Average Mass581.967
Monoisotopic Mass581.53831
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C36H71NO4/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/h17-18,33-34,36,38-39,41H,3-16,19-32H2,1-2H3,(H,37,40)/b18-17-/t33-,34+,36-/m0/s1
InChIKeyATGQXSBKTQANOH-UWVGARPKSA-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-oleoylphytosphingosine (CHEBI:85204) has functional parent oleic acid (CHEBI:16196)
N-oleoylphytosphingosine (CHEBI:85204) is a N-acylphytosphingosine (CHEBI:31998)
IUPAC Name 
(9Z)-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]octadec-9-enamide
Synonyms  Source
Cer(t18:0/18:1n-9)SUBMITTER
PHCer C18:1(n-9)SUBMITTER
N-oloeoyl-4-hydroxysphinganineChEBI
N-(9Z-octadecenoyl)phytosphingosineChEBI
UniProt Name  Source
N-(9Z-octadecenoyl)-(4R)-hydroxysphinganineUniProt
Registry NumbersSources
Reaxys:10777647Reaxys