Chem
J-GLOBAL ID：200907092033013983   Nikkaji number：J601.106C

3-(Carboxymethyl)riboflavin

3-(カルボキシメチル)リボフラビン
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： C19H22N4O8
Molecular formula furigana： C19-H22-N4-O8
Molecular weight： 434.405
InChI： InChI=1S/C19H22N4O8/c1-8-3-10-11(4-9(8)2)22(5-12(25)16(29)13(26)7-24)17-15(20-10)18(30)23(6-14(27)28)19(31)21-17/h3-4,12-13,16,24-26,29H,5-7H2,1-2H3,(H,27,28)/t12-,13+,16-/m0/s1
InChI key： YFKSNCIPAHACKJ-ZENOOKHLSA-N
SMILES： Cc1cc2nc3c(nc(=O)n(CC(=O)O)c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C
Systematic name  (3)：
  • 3-(カルボキシメチル)リボフラビン
  • 2-{7,8-ジメチル-2,4-ジオキソ-10-[(2S,3S,4R)-2,3,4,5-テトラヒドロキシペンチル]-2H,3H,4H,10H-ベンゾ[g]プテリジン-3-イル}酢酸
  • 2-{7,8-dimethyl-2,4-dioxo-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridin-3-yl}acetic acid
Other name (1)：
  • 3-(Carboxymethyl)riboflavin
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