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CHEBI:226309 - (2S, 3S, 4R)-2-[(2R)-2-hydroxytetracosanoylamino]-1, 3, 4-octadecanetriol

ChEBI IDCHEBI:226309
ChEBI Name(2S, 3S, 4R)-2-[(2R)-2-hydroxytetracosanoylamino]-1, 3, 4-octadecanetriol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H85NO5
Net Charge0
Average Mass684.144
Monoisotopic Mass683.64277
SMILESCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C42H85NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h38-41,44-47H,3-37H2,1-2H3,(H,43,48)/t38-,39+,40+,41-/m0/s1
InChIKeyZFUXWVVVWGWGPQ-QLLOZFISSA-N
Species of MetaboliteComponentSourceComments
Trichoderma koningii (ncbitaxon:97093) - DOI (10.1248/cpb.43.1035)
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-[(2R)-2-hydroxytetracosanoylamino]-1, 3, 4-octadecanetriol (CHEBI:226309) is a N-acylphytosphingosine (CHEBI:31998)
IUPAC Name 
(2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]tetracosanamide
Manual XrefsDatabases
LMSP02030026LIPID MAPS
8387530ChemSpider