Chem
J-GLOBAL ID:200907000316619126   Nikkaji number:J1.377.495A

Riboflavin 3′-phosphoric acid

リボフラビン3′-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: C17H21N4O9P
Molecular formula furigana: C17-H21-N4-O9-P
Molecular weight: 456.348
InChI: InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(23)14(12(24)6-22)30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
InChI key: XTUPYSORVVXTTQ-SCRDCRAPSA-N
SMILES: Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](OP(=O)(O)O)[C@H](O)CO)c2cc1C
Systematic name  (3):
  • リボフラビン3′-りん酸
  • {[(2S,3S,4R)-1-{7,8-ジメチル-2,4-ジオキソ-2H,3H,4H,10H-ベンゾ[g]プテリジン-10-イル}-2,4,5-トリヒドロキシペンタン-3-イル]オキシ}ホスホン酸
  • {[(2S,3S,4R)-1-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,4,5-trihydroxypentan-3-yl]oxy}phosphonic acid
Other name (1):
  • Riboflavin 3′-phosphoric acid
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