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CHEBI:46359 - [(1R)-1-hydroxy-3-methylbutyl]thiamine diphosphate

ChEBI IDCHEBI:46359
ChEBI Name[(1R)-1-hydroxy-3-methylbutyl]thiamine diphosphate
Stars
ASCII Name[(1R)-1-hydroxy-3-methylbutyl]thiamine diphosphate
Last Modified19 February 2008
DownloadsMolfile
FormulaC17H29N4O8P2S
Net Charge+1
Average Mass511.454
Monoisotopic Mass511.11758
SMILES[H]O[C@@]([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])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C17H28N4O8P2S/c1-10(2)7-14(22)17-21(9-13-8-19-12(4)20-16(13)18)11(3)15(32-17)5-6-28-31(26,27)29-30(23,24)25/h8,10,14,22H,5-7,9H2,1-4H3,(H4-,18,19,20,23,24,25,26,27)/p+1/t14-/m1/s1
InChIKeyOZAWOYZVNPQFFO-CQSZACIVSA-O
ChEBI Ontology
Outgoing Relation(s)
[(1R)-1-hydroxy-3-methylbutyl]thiamine diphosphate (CHEBI:46359) is a 3-methyl-1-hydroxybutylthiamine diphosphate (CHEBI:29143)
Synonym  Source
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1R)-1-hydroxy-3-methylbutyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-iumPDBeChem
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