Chem
J-GLOBAL ID：200907081676820388   Nikkaji number：J2.753.436H

4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate

4-(4-デオキシ-β-D-グルコ-4-エヌロシル)-D-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： C12H16O12
Molecular formula furigana： C12-H16-O12
Molecular weight： 352.248
InChI： InChI=1S/C12H16O12/c13-2-1-3(9(17)18)22-12(4(2)14)24-7-5(15)6(16)11(21)23-8(7)10(19)20/h1-2,4-8,11-16,21H,(H,17,18)(H,19,20)/t2-,4+,5+,6+,7+,8-,11+,12-/m0/s1
InChI key： LLVVMXFNKAHVEZ-JDRPKTLISA-N
SMILES： O[C@@H]1O[C@@H]([C@H](O[C@@H]2OC(=C[C@H](O)[C@H]2O)C(=O)O)[C@H](O)[C@H]1O)C(=O)O
Systematic name  (3)：
  • 4-O-(6-カルボキシ-3,4-ジヒドロ-3α,4β-ジヒドロキシ-2H-ピラン-2β-イル)-β-D-ガラクトピラヌロン酸
  • (2R,3R,4S)-2-{[(2S,3R,4R,5R,6R)-2-カルボキシ-4,5,6-トリヒドロキシオキサン-3-イル]オキシ}-3,4-ジヒドロキシ-3,4-ジヒドロ-2H-ピラン-6-カルボン酸
  • (2R,3R,4S)-2-{[(2S,3R,4R,5R,6R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy}-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Other name (3)：
  • 4-O-(6-Carboxy-3,4-dihydro-3α,4β-dihydroxy-2H-pyran-2β-yl)-β-D-galactopyranuronic acid
  • 4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate
  • 4-(4-デオキシ-β-D-グルコ-4-エヌロシル)-D-ガラクツロン酸
KEGG COMPOUND： C04733
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