Chem
J-GLOBAL ID：200907060578537964   Nikkaji number：J943.754A

4′-Hydroxy-4′-deaminothiamin diphosphate

4′-ヒドロキシ-4′-デアミノチアミン二りん酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C12H18N2[N+]O8P2S
Molecular formula furigana： C12-H18-N3-O8-P2-S
Molecular weight： 426.300
InChI： InChI=1S/C12H17N3O8P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-15(8)6-10-5-13-9(2)14-12(10)16/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,16,17,18,19,20,21)/p+1
InChI key： FBFAORFKQFQJGN-UHFFFAOYSA-O
SMILES： Cc1c(CCOP(=O)(O)OP(=O)(O)O)sc[n+]1Cc1cnc(C)nc1O
Systematic name  (3)：
  • 3-[(4-ヒドロキシ-2-メチルピリミジン-5-イル)メチル]-5-[2-[[(ホスホノオキシ)ホスホニル]オキシ]エチル]-4-メチルチアゾール-3-イウム
  • 5-(2-{[ヒドロキシ(ホスホノオキシ)ホスホリル]オキシ}エチル)-3-[(4-ヒドロキシ-2-メチルピリミジン-5-イル)メチル]-4-メチル-1,3-チアゾール-3-イウム
  • 5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-3-[(4-hydroxy-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium
Other name (3)：
  • 4′-ヒドロキシ-4′-デアミノチアミン二りん酸
  • 4′-Hydroxy-4′-deaminothiamin diphosphate
  • 3-[(4-Hydroxy-2-methylpyrimidin-5-yl)methyl]-5-[2-[[(phosphonooxy)phosphonyl]oxy]ethyl]-4-methylthiazol-3-ium
Thsaurus map：
Thesaurus Map

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