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CHEBI:214630 - (2S, 3S, 4R)-2-[(2'R)-2'-hydroxydocosanoylamino]-1, 3, 4-octadecanetriol

ChEBI IDCHEBI:214630
ChEBI Name(2S, 3S, 4R)-2-[(2'R)-2'-hydroxydocosanoylamino]-1, 3, 4-octadecanetriol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H81NO5
Net Charge0
Average Mass656.090
Monoisotopic Mass655.61147
SMILESCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C40H81NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-38(44)40(46)41-36(35-42)39(45)37(43)33-31-29-27-25-23-16-14-12-10-8-6-4-2/h36-39,42-45H,3-35H2,1-2H3,(H,41,46)/t36-,37+,38+,39-/m0/s1
InChIKeyXJDLBNONNWFVMN-KSLZXYGFSA-N
Species of MetaboliteComponentSourceComments
Grifola (ncbitaxon:5626) - PubMed (10993238)
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
(2S, 3S, 4R)-2-[(2'R)-2'-hydroxydocosanoylamino]-1, 3, 4-octadecanetriol (CHEBI:214630) is a N-acylphytosphingosine (CHEBI:31998)
IUPAC Name 
(2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]docosanamide
Manual XrefsDatabases
8898311ChemSpider