Chem
J-GLOBAL ID：200907033065455825   Nikkaji number：J1.879.106D

2,4a-13C-FAD

(2,4a-13C2)リボフラビン5′-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： C15[13C]2H21N4O9P
Molecular formula furigana： C17-H21-N4-O9-P
Molecular weight： 458.332
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(22)14(24)12(23)6-30-31(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/i13+1,17+1
InChI key： FVTCRASFADXXNN-MKWMWWRLSA-N
SMILES： Cc1cc2n[13c]3c(n[13c](=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C
Systematic name  (3)：
  • (2,4a-13C2)リボフラビン5′-りん酸
  • {[(2R,3S,4S)-5-[7,8-ジメチル-2,4-ジオキソ(2,4a-13C2)-2H,3H,4H,10H-ベンゾ[g]プテリジン-10-イル]-2,3,4-トリヒドロキシペンチル]オキシ}ホスホン酸
  • {[(2R,3S,4S)-5-[7,8-dimethyl-2,4-dioxo(2,4a-13C2)-2H,3H,4H,10H-benzo[g]pteridin-10-yl]-2,3,4-trihydroxypentyl]oxy}phosphonic acid
Other name (2)：
  • (2,4a-13C2)Riboflavin 5′-phosphoric acid
  • 2,4a-13C-FAD
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