Chem
J-GLOBAL ID:200907017097738890   Nikkaji number:J430.621J

5-AcetonylPQQ

5-アセトニルPQQ
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: C17H12N2O9
Molecular formula furigana: C17-H12-N2-O9
Molecular weight: 388.288
InChI: InChI=1S/C17H12N2O9/c1-5(20)4-17(28)12-10(6(14(22)23)2-9(19-12)16(26)27)11-7(13(17)21)3-8(18-11)15(24)25/h2-3,18,28H,4H2,1H3,(H,22,23)(H,24,25)(H,26,27)
InChI key: YQTWHQXGPCJKAP-UHFFFAOYSA-N
SMILES: CC(=O)CC1(O)C(=O)c2cc([nH]c2c2c(cc(nc12)C(=O)O)C(=O)O)C(=O)O
Systematic name  (4):
  • 4,5-ジヒドロ-5-ヒドロキシ-4-オキソ-5-(2-オキソプロピル)-1H-ピロロ[2,3-f]キノリン-2,7,9-トリカルボン酸
  • 5-アセトニル-4,5-ジヒドロ-5-ヒドロキシ-4-オキソ-1H-ピロロ[2,3-f]キノリン-2,7,9-トリカルボン酸
  • 5-ヒドロキシ-4-オキソ-5-(2-オキソプロピル)-1H,4H,5H-ピロロ[2,3-f]キノリン-2,7,9-トリカルボン酸
  • 5-hydroxy-4-oxo-5-(2-oxopropyl)-1H,4H,5H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
Other name (3):
  • 5-アセトニルPQQ
  • 5-AcetonylPQQ
  • 5-Acetonyl-4,5-dihydro-5-hydroxy-4-oxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
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