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CHEBI:82842 - N-octanoylphytosphingosine

ChEBI IDCHEBI:82842
ChEBI NameN-octanoylphytosphingosine
Stars
ASCII NameN-octanoylphytosphingosine
DefinitionA phytoceramide in which the N-acyl group is specified as octanoyl.
Last Modified11 November 2014
Submitterlaimo
DownloadsMolfile
FormulaC26H53NO4
Net Charge0
Average Mass443.713
Monoisotopic Mass443.39746
SMILESCCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)NC(=O)CCCCCCC
InChIInChI=1S/C26H53NO4/c1-3-5-7-9-10-11-12-13-14-15-17-18-20-24(29)26(31)23(22-28)27-25(30)21-19-16-8-6-4-2/h23-24,26,28-29,31H,3-22H2,1-2H3,(H,27,30)/t23-,24+,26-/m0/s1
InChIKeyXQNJLWJVISBYSS-GSLIJJQTSA-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-octanoylphytosphingosine (CHEBI:82842) has functional parent octanoic acid (CHEBI:28837)
N-octanoylphytosphingosine (CHEBI:82842) is a N-acylphytosphingosine (CHEBI:31998)
IUPAC Name 
N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]octanamide
Synonyms  Source
N-caprylylphytoceramideSUBMITTER
N-capryloylphytosphingosineSUBMITTER
Cer(t18:0/8:0)ChEBI
UniProt Name  Source
N-octanoyl-4-hydroxysphinganineUniProt
Registry NumbersSources
Reaxys:9885224Reaxys