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CHEBI:194283 - Dibenzoyl Thiamine

ChEBI IDCHEBI:194283
ChEBI NameDibenzoyl Thiamine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H26N4O4S
Net Charge0
Average Mass490.585
Monoisotopic Mass490.16748
SMILESC/C(=C(\CCOC(=O)c1ccccc1)SC(=O)c1ccccc1)N(C=O)Cc1cnc(C)nc1N
InChIInChI=1S/C26H26N4O4S/c1-18(30(17-31)16-22-15-28-19(2)29-24(22)27)23(35-26(33)21-11-7-4-8-12-21)13-14-34-25(32)20-9-5-3-6-10-20/h3-12,15,17H,13-14,16H2,1-2H3,(H2,27,28,29)/b23-18-
InChIKeyAZJUFRDUYTYIHV-NKFKGCMQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) peripheral blood mononuclear cell (BTO:0001025) MetaboLights (MTBLS6661)
ChEBI Ontology
Outgoing Relation(s)
Dibenzoyl Thiamine (CHEBI:194283) is a benzoate ester (CHEBI:36054)
IUPAC Name 
[(Z)-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-ormylamino]-3-benzoylsulanylpent-3-enyl] benzoate
Manual XrefsDatabases
2300295ChemSpider
D81858KEGG DRUG