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
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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:
C12 H18 N2 [N+]O8 P2 S
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
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