Chem
J-GLOBAL ID:200907050372765779   Nikkaji number:J1.010.485H

Methyl 3-O-(3-O-α-L-fucopyranosyl-2-acetylamino-2-deoxy-β-D-glucopyranosyl)-β-D-galactopyranoside

メチル3-O-(3-O-α-L-フコピラノシル-2-アセチルアミノ-2-デオキシ-β-D-グルコピラノシル)-β-D-ガラクトピラノシド
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: C21H37NO15
Molecular formula furigana: C21-H37-N-O15
Molecular weight: 543.519
InChI: InChI=1S/C21H37NO15/c1-6-11(26)14(29)15(30)21(33-6)36-17-10(22-7(2)25)19(34-8(4-23)12(17)27)37-18-13(28)9(5-24)35-20(32-3)16(18)31/h6,8-21,23-24,26-31H,4-5H2,1-3H3,(H,22,25)/t6-,8+,9+,10+,11+,12+,13-,14+,15-,16+,17+,18-,19-,20+,21-/m0/s1
InChI key: AAZKBKWXOZERKK-DJXQLSBZSA-N
SMILES: CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]2NC(=O)C)[C@H]1O
Systematic name  (3):
  • メチル3-O-(3-O-α-L-フコピラノシル-2-アセチルアミノ-2-デオキシ-β-D-グルコピラノシル)-β-D-ガラクトピラノシド
  • N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5R,6R)-3,5-ジヒドロキシ-2-(ヒドロキシメチル)-6-メトキシオキサン-4-イル]オキシ}-5-ヒドロキシ-6-(ヒドロキシメチル)-4-{[(2S,3S,4R,5S,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}オキサン-3-イル]アセトアミド
  • N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]acetamide
Other name (1):
  • Methyl 3-O-(3-O-α-L-fucopyranosyl-2-acetylamino-2-deoxy-β-D-glucopyranosyl)-β-D-galactopyranoside
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