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CHEBI:67024 - N-docosanoyl-4-hydroxysphinganine

ChEBI IDCHEBI:67024
ChEBI NameN-docosanoyl-4-hydroxysphinganine
Stars
ASCII NameN-docosanoyl-4-hydroxysphinganine
DefinitionA phytoceramide in which the ceramide N-acyl group is specified as docosanoyl (behenoyl).
Last Modified8 October 2020
SubmitterAlan Bridge
DownloadsMolfile
FormulaC40H81NO4
Net Charge0
Average Mass640.091
Monoisotopic Mass639.61656
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C40H81NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-39(44)41-37(36-42)40(45)38(43)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h37-38,40,42-43,45H,3-36H2,1-2H3,(H,41,44)/t37-,38+,40-/m0/s1
InChIKeyCIMNZQFRNXDRER-HIERITDVSA-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-docosanoyl-4-hydroxysphinganine (CHEBI:67024) is a N-acylphytosphingosine (CHEBI:31998)
IUPAC Name 
N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]docosanamide
Synonyms  Source
PHC-B 18:0/22:0SUBMITTER
Cer(t18:0/22:0)SUBMITTER
N-docosanoylphytosphingosineChEBI
N-(docosanoyl)-4-hydroxysphinganineChEBI
N-(docosanoyl)-4R-hydroxysphinganineLIPID MAPS
N-(docosanoyl)-phytoceramideLIPID MAPS
UniProt Name  Source
N-docosanoyl-(4R)-hydroxysphinganineUniProt
Manual XrefsDatabases
LMSP02030008LIPID MAPS
Registry NumbersSources
Reaxys:6828511Reaxys