Chem
J-GLOBAL ID:200907019565726814   Nikkaji number:J139.428B

Amarantin

アマランチン
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: C30H34N2O19
Molecular formula furigana: C30-H34-N2-O19
Molecular weight: 726.597
InChI: InChI=1S/C30H34N2O19/c33-8-17-18(35)20(37)24(51-29-22(39)19(36)21(38)23(50-29)28(46)47)30(49-17)48-16-6-10-5-14(27(44)45)32(13(10)7-15(16)34)2-1-9-3-11(25(40)41)31-12(4-9)26(42)43/h1-3,6-7,12,14,17-24,29-30,33-39H,4-5,8H2,(H,40,41)(H,42,43)(H,44,45)(H,46,47)/t12-,14-,17+,18+,19-,20-,21-,22+,23-,24+,29-,30+/m0/s1
InChI key: HNGVOGUQLNOBKK-POBNKHOBSA-N
SMILES: OC[C@H]1O[C@@H](Oc2cc3C[C@H](N(C=CC4=CC(=N[C@@H](C4)C(=O)O)C(=O)O)c3cc2O)C(=O)O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)[C@@H](O)[C@@H]1O
Systematic name  (3):
  • (S)-4-[2-[(2S)-2-カルボキシ-5-[(2-O-β-D-グルコピラヌロノシル-β-D-グルコピラノシル)オキシ]-2,3-ジヒドロ-6-ヒドロキシ-1H-インドール-1-イル]エテニル]-2,3-ジヒドロ-2,6-ピリジンジカルボン酸
  • (2S)-4-{2-[(2S)-2-カルボキシ-5-{[(2S,3R,4S,5S,6R)-3-{[(2R,3R,4S,5S,6S)-6-カルボキシ-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-6-ヒドロキシ-2,3-ジヒドロ-1H-インドール-1-イル]エテニル}-2,3-ジヒドロピリジン-2,6-ジカルボン酸
  • (2S)-4-{2-[(2S)-2-carboxy-5-{[(2S,3R,4S,5S,6R)-3-{[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxy-2,3-dihydro-1H-indol-1-yl]ethenyl}-2,3-dihydropyridine-2,6-dicarboxylic acid
Other name (4):
  • アマランチン
  • Amarantin
  • (S)-4-[2-[(2S)-2-Carboxy-5-[(2-O-β-D-glucopyranuronosyl-β-D-glucopyranosyl)oxy]-2,3-dihydro-6-hydroxy-1H-indol-1-yl]ethenyl]-2,3-dihydro-2,6-pyridinedicarboxylic acid
  • Amaranthin
CAS registry number: 15167-84-7
KEGG COMPOUND: C08537
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