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CHEBI:45853 - [(2S)-2-methyl-1-hydroxybutyl]thiamine diphosphate

ChEBI IDCHEBI:45853
ChEBI Name[(2S)-2-methyl-1-hydroxybutyl]thiamine diphosphate
Stars
ASCII Name[(2S)-2-methyl-1-hydroxybutyl]thiamine diphosphate
Last Modified19 February 2008
DownloadsMolfile
FormulaC17H28N4O8P2S
Net Charge0
Average Mass510.446
Monoisotopic Mass510.11031
SMILES[H]O[C-](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])(C([H])([H])[H])C([H])([H])C([H])([H])[H]
InChIInChI=1S/C17H28N4O8P2S/c1-5-10(2)15(22)17-21(9-13-8-19-12(4)20-16(13)18)11(3)14(32-17)6-7-28-31(26,27)29-30(23,24)25/h8,10,22H,5-7,9H2,1-4H3,(H,26,27)(H2,18,19,20)(H2,23,24,25)/t10-/m0/s1
InChIKeyMZVVOGXJVCPANP-JTQLQIEISA-N
ChEBI Ontology
Outgoing Relation(s)
[(2S)-2-methyl-1-hydroxybutyl]thiamine diphosphate (CHEBI:45853) is a 2-methyl-1-hydroxybutylthiamine diphosphate (CHEBI:29141)
Synonyms  Source
(2S)-1-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl]-1-hydroxy-2-methylbutan-1-idePDBeChem
C2-1-HYDROXY-2-METHYL-BUTYL-THIAMIN DIPHOSPHATEPDBeChem
Manual XrefsDatabases
THYPDBeChem