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CHEBI:176749 - 2-Hydroxy-N-(1,3,4-trihydroxy-2-octadecanyl)docosanamide

ChEBI IDCHEBI:176749
ChEBI Name2-Hydroxy-N-(1,3,4-trihydroxy-2-octadecanyl)docosanamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H81NO5
Net Charge0
Average Mass656.090
Monoisotopic Mass655.61147
SMILESCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(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)
InChIKeyXJDLBNONNWFVMN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000118) MetaboLights (MTBLS2262)
blood plasma (BTO:0000118) MetaboLights (MTBLS2262)
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
2-Hydroxy-N-(1,3,4-trihydroxy-2-octadecanyl)docosanamide (CHEBI:176749) is a N-acylphytosphingosine (CHEBI:31998)
IUPAC Name 
2-hydroxy-N-(1,3,4-trihydroxyoctadecan-2-yl)docosanamide
Manual XrefsDatabases
HMDB0035469HMDB
35013931ChemSpider