Chem
J-GLOBAL ID：200907084606716507   Nikkaji number：J13.952A

Stizolobate

スチゾロブ酸
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： C9H9NO6
Molecular formula furigana： C9-H9-N-O6
Molecular weight： 227.172
InChI： InChI=1S/C9H9NO6/c10-5(8(12)13)1-4-2-6(9(14)15)16-7(11)3-4/h2-3,5H,1,10H2,(H,12,13)(H,14,15)/t5-/m0/s1
InChI key： KQZBVNZAEQASKU-YFKPBYRVSA-N
SMILES： N[C@@H](Cc1cc(oc(=O)c1)C(=O)O)C(=O)O
Systematic name  (3)：
  • (S)-α-アミノ-6-カルボキシ-2-オキソ-2H-ピラン-4-プロパン酸
  • 4-[(2S)-2-アミノ-2-カルボキシエチル]-2-オキソ-2H-ピラン-6-カルボン酸
  • 4-[(2S)-2-amino-2-carboxyethyl]-2-oxo-2H-pyran-6-carboxylic acid
Other name (5)：
  • スチゾロブ酸
  • Stizolobic acid
  • (S)-α-Amino-6-carboxy-2-oxo-2H-pyran-4-propanoic acid
  • スチゾロビン酸
  • Stizolobate
CAS registry number： 15911-87-2
KEGG COMPOUND： C06047
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