Chem
J-GLOBAL ID：200907002899016060   Nikkaji number：J1.609.017D

N-Acetyl-1-O-allyl-4-O-[2-(acetylamino)-4-O-[2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-β-D-glucopyranosyl]-2-deoxy-β-D-glucopyranosyl]-β-D-glucosamine

N-アセチル-1-O-アリル-4-O-[2-(アセチルアミノ)-4-O-[2-(アセチルアミノ)-4-O-[2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-2-デオキシ-β-D-グルコピラノシル]-2-デオキシ-β-D-グルコピラノシル]-β-D-グルコサミン
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： C35H58N4O21
Molecular formula furigana： C35-H58-N4-O21
Molecular weight： 870.856
InChI： InChI=1S/C35H58N4O21/c1-6-7-53-32-21(37-13(3)45)26(50)29(17(9-41)55-32)59-34-23(39-15(5)47)28(52)31(19(11-43)57-34)60-35-22(38-14(4)46)27(51)30(18(10-42)56-35)58-33-20(36-12(2)44)25(49)24(48)16(8-40)54-33/h6,16-35,40-43,48-52H,1,7-11H2,2-5H3,(H,36,44)(H,37,45)(H,38,46)(H,39,47)/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33+,34+,35+/m1/s1
InChI key： FQDNSMVFOXLHHE-NWGAWUGLSA-N
SMILES： CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@H](OCC=C)O[C@@H]3CO)O[C@@H]2CO)O[C@@H]1CO
Systematic name  (3)：
  • N-アセチル-1-O-アリル-4-O-[2-(アセチルアミノ)-4-O-[2-(アセチルアミノ)-4-O-[2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-2-デオキシ-β-D-グルコピラノシル]-2-デオキシ-β-D-グルコピラノシル]-β-D-グルコサミン
  • N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6S)-5-アセトアミド-6-{[(2R,3S,4R,5R,6S)-5-アセトアミド-6-{[(2R,3S,4R,5R,6R)-5-アセトアミド-4-ヒドロキシ-2-(ヒドロキシメチル)-6-(プロパ-2-エン-1-イルオキシ)オキサン-3-イル]オキシ}-4-ヒドロキシ-2-(ヒドロキシメチル)オキサン-3-イル]オキシ}-4-ヒドロキシ-2-(ヒドロキシメチル)オキサン-3-イル]オキシ}-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-3-イル]アセトアミド
  • N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6S)-5-acetamido-6-{[(2R,3S,4R,5R,6S)-5-acetamido-6-{[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(prop-2-en-1-yloxy)oxan-3-yl]oxy}-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Other name (1)：
  • N-Acetyl-1-O-allyl-4-O-[2-(acetylamino)-4-O-[2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-β-D-glucopyranosyl]-2-deoxy-β-D-glucopyranosyl]-β-D-glucosamine
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