Chem
J-GLOBAL ID：200907068300428103   Nikkaji number：J2.751.688B

3-(4-Deoxy-β-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine

3-(4-デオキシ-β-D-グルコ-4-エノウロノシル)-N-アセチル-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： C14H21NO11
Molecular formula furigana： C14-H21-N-O11
Molecular weight： 379.318
InChI： InChI=1S/C14H21NO11/c1-4(17)15-8-11(10(20)7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22)/t5-,7+,8+,9+,10+,11+,13+,14-/m0/s1
InChI key： DLGJWSVWTWEWBJ-UCFDOFRFSA-N
SMILES： CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(=C[C@H](O)[C@H]1O)C(=O)O
Systematic name  (3)：
  • N-アセチル-3-O-(4-デオキシ-α-L-threo-ヘキサ-4-エノピラヌロノシル)-β-D-グルコサミン
  • (2R,3R,4S)-2-{[(2R,3R,4R,5S,6R)-3-アセトアミド-2,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-4-イル]オキシ}-3,4-ジヒドロキシ-3,4-ジヒドロ-2H-ピラン-6-カルボン酸
  • (2R,3R,4S)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Other name (5)：
  • N-Acetyl-3-O-(4-deoxy-α-L-threo-hexa-4-enopyranuronosyl)-β-D-glucosamine
  • 3-(4-Deoxy-β-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine
  • 3-(4-Deoxy-α-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose
  • 3-(4-デオキシ-β-D-グルコ-4-エノウロノシル)-N-アセチル-β-D-グルコサミン
  • 3-(4-デオキシ-α-L-threo-ヘキサ-4-エノピラノシルウロン酸)-2-アセトアミド-2-デオキシ-D-グルコース
KEGG COMPOUND： C04794
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