Chem
J-GLOBAL ID：200907036402905225   Nikkaji number：J1.777.955I

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

3-O-(2-O-α-D-ガラクトピラヌロノシル-α-L-ラムノピラノシル)-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： C25H36N2O17
Molecular formula furigana： C25-H36-N2-O17
Molecular weight： 636.560
InChI： InChI=1S/C25H36N2O17/c1-7-11(29)14(32)20(44-24-16(34)13(31)15(33)19(43-24)23(39)40)25(41-7)42-18(17(35)22(37)38)12(30)10(28)6-27-9-5-3-2-4-8(9)21(26)36/h2-5,7,10-20,24-25,27-35H,6H2,1H3,(H2,26,36)(H,37,38)(H,39,40)/t7-,10-,11-,12+,13-,14+,15+,16+,17-,18+,19-,20+,24+,25-/m0/s1
InChI key： ADWYMGNPDLHVFO-IQDSIWIVSA-N
SMILES： C[C@@H]1O[C@@H](O[C@H]([C@H](O)[C@@H](O)CNc2ccccc2C(=O)N)[C@H](O)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)：
  • 3-O-(2-O-α-D-ガラクトピラヌロノシル-α-L-ラムノピラノシル)-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,4S,5R,6S)-6-{[(2S,3R,4R,5R,6S)-2-{[(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}-4,5-ジヒドロキシ-6-メチルオキサン-3-イル]オキシ}-3,4,5-トリヒドロキシオキサン-2-カルボン酸
  • (2S,3R,4S,5R,6S)-6-{[(2S,3R,4R,5R,6S)-2-{[(1S,2R,3R,4S)-5-[(2-carbamoylphenyl)amino]-1-carboxy-1,3,4-trihydroxypentan-2-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Other name (1)：
  • 3-O-(2-O-α-D-Galactopyranuronosyl-α-L-rhamnopyranosyl)-6-(2-carbamoylanilino)-6-deoxy-L-galactonic acid
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM