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CHEBI:46000 - [hydroxy(phenyl)methyl]thiamine diphosphate

ChEBI IDCHEBI:46000
ChEBI Name[hydroxy(phenyl)methyl]thiamine diphosphate
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Last Modified19 February 2008
DownloadsMolfile
FormulaC19H24N4O8P2S
Net Charge0
Average Mass530.436
Monoisotopic Mass530.07901
SMILES[H]O[C-](c1c([H])c([H])c([H])c([H])c1[H])c1sc(C([H])([H])C([H])([H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H])c(C([H])([H])[H])[n+]1C([H])([H])c1c([H])nc(C([H])([H])[H])nc1N([H])[H]
InChIInChI=1S/C19H24N4O8P2S/c1-12-16(8-9-30-33(28,29)31-32(25,26)27)34-19(17(24)14-6-4-3-5-7-14)23(12)11-15-10-21-13(2)22-18(15)20/h3-7,10,24H,8-9,11H2,1-2H3,(H,28,29)(H2,20,21,22)(H2,25,26,27)
InChIKeyZOLUTNQCUQSPSG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
[hydroxy(phenyl)methyl]thiamine diphosphate (CHEBI:46000) is a thiamine phosphate (CHEBI:26945)
Synonym  Source
[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl](hydroxy)phenylmethanidePDBeChem
Manual XrefsDatabases
THWPDBeChem