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CHEBI:208127 - (2S, 3S, 4R)-2-[(2'R)-2'-hydroxyhexacosanoylamino]-1, 3, 4-octadecanetriol

ChEBI IDCHEBI:208127
ChEBI Name(2S, 3S, 4R)-2-[(2'R)-2'-hydroxyhexacosanoylamino]-1, 3, 4-octadecanetriol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H89NO5
Net Charge0
Average Mass712.198
Monoisotopic Mass711.67407
SMILESCCCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C44H89NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(48)44(50)45-40(39-46)43(49)41(47)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-43,46-49H,3-39H2,1-2H3,(H,45,50)/t40-,41+,42+,43-/m0/s1
InChIKeyXNLFLZXNXQVPII-IDAYOUIPSA-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'-hydroxyhexacosanoylamino]-1, 3, 4-octadecanetriol (CHEBI:208127) is a N-acylphytosphingosine (CHEBI:31998)
IUPAC Name 
(2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexacosanamide
Manual XrefsDatabases
8803961ChemSpider