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CHEBI:206475 - (2S,3S,4R,20R)-2-(20-hydroxydocosanoylamino)eicosane-1,3,4-triol

ChEBI IDCHEBI:206475
ChEBI Name(2S,3S,4R,20R)-2-(20-hydroxydocosanoylamino)eicosane-1,3,4-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H85NO5
Net Charge0
Average Mass684.144
Monoisotopic Mass683.64277
SMILESCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C42H85NO5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h38-41,44-47H,3-37H2,1-2H3,(H,43,48)/t38-,39+,40-,41-/m0/s1
InChIKeyFDTBNEUMLZRTDJ-XRFUAQTBSA-N
Species of MetaboliteComponentSourceComments
Russula vinosa (ncbitaxon:176830) - PubMed (30987109)
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,20R)-2-(20-hydroxydocosanoylamino)eicosane-1,3,4-triol (CHEBI:206475) is a N-acylphytosphingosine (CHEBI:31998)
IUPAC Name 
(2S)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyicosan-2-yl]docosanamide