Chem
J-GLOBAL ID：200907046557856951   Nikkaji number：J2.075.508C

1-O-(2-Azidoethyl)-N-acetyl-4-O-[3-O-[2-(acetylamino)-2-deoxy-4-O-β-D-galactopyranosyl-β-D-glucopyranosyl]-β-D-galactopyranosyl]-β-D-glucosamine

1-O-(2-アジドエチル)-N-アセチル-4-O-[3-O-[2-(アセチルアミノ)-2-デオキシ-4-O-β-D-ガラクトピラノシル-β-D-グルコピラノシル]-β-D-ガラクトピラノシル]-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： C30H51N3[N-][N+]O21
Molecular formula furigana： C30-H51-N5-O21
Molecular weight： 817.752
InChI： InChI=1S/C30H51N5O21/c1-9(40)33-15-19(44)24(13(7-38)52-27(15)49-4-3-32-35-31)55-30-23(48)26(18(43)12(6-37)51-30)56-28-16(34-10(2)41)20(45)25(14(8-39)53-28)54-29-22(47)21(46)17(42)11(5-36)50-29/h11-30,36-39,42-48H,3-8H2,1-2H3,(H,33,40)(H,34,41)/t11-,12-,13-,14-,15-,16-,17+,18+,19-,20-,21+,22-,23-,24-,25-,26+,27-,28+,29+,30+/m1/s1
InChI key： UAOPXLXZQZODTM-QLUZKDHOSA-N
SMILES： CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(=O)C)[C@H]2O)[C@@H](CO)O[C@H]1OCCN=[N+]=[N-]
Systematic name  (3)：
  • 1-O-(2-アジドエチル)-N-アセチル-4-O-[3-O-[2-(アセチルアミノ)-2-デオキシ-4-O-β-D-ガラクトピラノシル-β-D-グルコピラノシル]-β-D-ガラクトピラノシル]-β-D-グルコサミン
  • N-[(2R,3R,4R,5S,6R)-2-(2-アジドエトキシ)-5-{[(2S,3R,4S,5S,6R)-4-{[(2S,3R,4R,5S,6R)-3-アセトアミド-4-ヒドロキシ-6-(ヒドロキシメチル)-5-{[(2S,3R,4S,5R,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-3,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-4-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-[(2R,3R,4R,5S,6R)-2-(2-azidoethoxy)-5-{[(2S,3R,4S,5S,6R)-4-{[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Other name (1)：
  • 1-O-(2-Azidoethyl)-N-acetyl-4-O-[3-O-[2-(acetylamino)-2-deoxy-4-O-β-D-galactopyranosyl-β-D-glucopyranosyl]-β-D-galactopyranosyl]-β-D-glucosamine
Thsaurus map：
Thesaurus Map

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