Chem
J-GLOBAL ID：200907086684539266   Nikkaji number：J18.773I

Dopaxanthin

ドパキサンチン
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： C18H18N2O8
Molecular formula furigana： C18-H18-N2-O8
Molecular weight： 390.348
InChI： InChI=1S/C18H18N2O8/c21-14-2-1-9(8-15(14)22)5-11(16(23)24)19-4-3-10-6-12(17(25)26)20-13(7-10)18(27)28/h1-4,6,8,11,13,20-22H,5,7H2,(H,23,24)(H,25,26)(H,27,28)/b10-3-,19-4+/t11-,13-/m0/s1
InChI key： YSNPSKZBOQYUHH-ZJQVBNTPSA-N
SMILES： OC(=O)[C@H](Cc1ccc(O)c(O)c1)/N=C/C=C/1\C[C@H](NC(=C1)C(=O)O)C(=O)O
Systematic name  (3)：
  • (2S)-4-[(1E,2E)-2-[[(S)-1-カルボキシ-2-(3,4-ジヒドロキシフェニル)エチル]イミノ]エチリデン]-1,2,3,4-テトラヒドロ-2,6-ピリジンジカルボン酸
  • (2S,4E)-4-[(2E)-2-{[(1S)-1-カルボキシ-2-(3,4-ジヒドロキシフェニル)エチル]イミノ}エチリデン]-1,2,3,4-テトラヒドロピリジン-2,6-ジカルボン酸
  • (2S,4E)-4-[(2E)-2-{[(1S)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid
Other name (3)：
  • ドパキサンチン
  • Dopaxanthin
  • (2S)-4-[(1E,2E)-2-[[(S)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethyl]imino]ethylidene]-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylic acid
CAS registry number： 71199-31-0
KEGG COMPOUND： C08543
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