Chem
J-GLOBAL ID：200907046099187433   Nikkaji number：J1.777.956G

3-O-(4-O-α-D-Galactopyranuronosyl-α-D-galactopyranuronosyl)-6-(2-carbamoylanilino)-6-deoxy-L-galactonic acid

3-O-(4-O-α-D-ガラクトピラヌロノシル-α-D-ガラクトピラヌロノシル)-6-(2-カルバモイルアニリノ)-6-デオキシ-L-ガラクトン酸
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： C25H34N2O19
Molecular formula furigana： C25-H34-N2-O19
Molecular weight： 666.542
InChI： InChI=1S/C25H34N2O19/c26-20(36)6-3-1-2-4-7(6)27-5-8(28)9(29)16(15(35)21(37)38)43-25-14(34)12(32)17(19(46-25)23(41)42)44-24-13(33)10(30)11(31)18(45-24)22(39)40/h1-4,8-19,24-25,27-35H,5H2,(H2,26,36)(H,37,38)(H,39,40)(H,41,42)/t8-,9+,10-,11+,12+,13+,14+,15-,16+,17+,18-,19-,24-,25-/m0/s1
InChI key： KWOROXMOIPWJOP-AYKPQSCVSA-N
SMILES： NC(=O)c1ccccc1NC[C@H](O)[C@@H](O)[C@@H](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)[C@H](O)C(=O)O
Systematic name  (3)：
  • 3-O-(4-O-α-D-ガラクトピラヌロノシル-α-D-ガラクトピラヌロノシル)-6-(2-カルバモイルアニリノ)-6-デオキシ-L-ガラクトン酸
  • (2S,3R,4R,5R,6S)-6-{[(1S,2R,3R,4S)-5-[(2-カルバモイルフェニル)アミノ]-1-カルボキシ-1,3,4-トリヒドロキシペンタン-2-イル]オキシ}-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-ジヒドロキシオキサン-2-カルボン酸
  • (2S,3R,4R,5R,6S)-6-{[(1S,2R,3R,4S)-5-[(2-carbamoylphenyl)amino]-1-carboxy-1,3,4-trihydroxypentan-2-yl]oxy}-3-{[(2S,3R,4S,5R,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid
Other name (1)：
  • 3-O-(4-O-α-D-Galactopyranuronosyl-α-D-galactopyranuronosyl)-6-(2-carbamoylanilino)-6-deoxy-L-galactonic acid
Thsaurus map：
Thesaurus Map

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