Chem
J-GLOBAL ID：200907073056643408   Nikkaji number：J506.523B

Digalacturonic acid

ジガラクツロン酸
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： C12H18O13
Molecular formula furigana： C12-H18-O13
Molecular weight： 370.263
InChI： InChI=1S/C12H18O13/c13-1-2(14)7(9(18)19)25-12(5(1)17)24-6-3(15)4(16)11(22)23-8(6)10(20)21/h1-8,11-17,22H,(H,18,19)(H,20,21)/t1-,2+,3+,4+,5+,6+,7-,8-,11-,12-/m0/s1
InChI key： IGSYEZFZPOZFNC-MMGXBETBSA-N
SMILES： O[C@H]1O[C@@H]([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)C(=O)O
Systematic name  (3)：
  • 4-O-(α-D-ガラクトピラヌロノシル)-α-D-ガラクトピラヌロン酸
  • (2S,3R,4R,5R,6S)-3-{[(2S,3R,4S,5R,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}-4,5,6-トリヒドロキシオキサン-2-カルボン酸
  • (2S,3R,4R,5R,6S)-3-{[(2S,3R,4S,5R,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5,6-trihydroxyoxane-2-carboxylic acid
Other name (3)：
  • ジガラクツロン酸
  • Digalacturonic acid
  • 4-O-(α-D-Galactopyranuronosyl)-α-D-galactopyranuronic acid
CAS registry number： 28144-27-6
KEGG COMPOUND： C02273
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