Chem
J-GLOBAL ID:200907053298567748   Nikkaji number:J1.892.874D

2-O-[1-O-[1-O-Amino-2-(acetylamino)-2,4-dideoxy-β-D-glucopyranose-4-yl]-3-deoxy-β-D-galactopyranose-3-yl]-5-(acetylamino)-3,5-dideoxy-α-D-glycero-D-galacto-2-nonulopyranosonic acid

2-O-[1-O-[1-O-アミノ-2-(アセチルアミノ)-2,4-ジデオキシ-β-D-グルコピラノース-4-イル]-3-デオキシ-β-D-ガラクトピラノース-3-イル]-5-(アセチルアミノ)-3,5-ジデオキシ-α-D-glycero-D-galacto-2-ノヌロピラノソン酸
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: C25H43N3O19
Molecular formula furigana: C25-H43-N3-O19
Molecular weight: 689.621
InChI: InChI=1S/C25H43N3O19/c1-7(32)27-13-9(34)3-25(24(40)41,45-20(13)15(36)10(35)4-29)46-21-16(37)11(5-30)42-23(18(21)39)44-19-12(6-31)43-22(47-26)14(17(19)38)28-8(2)33/h9-23,29-31,34-39H,3-6,26H2,1-2H3,(H,27,32)(H,28,33)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18+,19+,20+,21-,22-,23-,25-/m0/s1
InChI key: STQAYPLXCNYNEH-UCIBSBKJSA-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@@]3(C[C@H](O)[C@@H](NC(=O)C)[C@@H](O3)[C@H](O)[C@H](O)CO)C(=O)O)[C@H]2O)[C@@H](CO)O[C@H]1ON
Systematic name  (3):
  • 2-O-[1-O-[1-O-アミノ-2-(アセチルアミノ)-2,4-ジデオキシ-β-D-グルコピラノース-4-イル]-3-デオキシ-β-D-ガラクトピラノース-3-イル]-5-(アセチルアミノ)-3,5-ジデオキシ-α-D-glycero-D-galacto-2-ノヌロピラノソン酸
  • (2S,4S,5R,6R)-2-{[(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-6-(アミノオキシ)-5-アセトアミド-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}-3,5-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}-5-アセトアミド-4-ヒドロキシ-6-[(1R,2R)-1,2,3-トリヒドロキシプロピル]オキサン-2-カルボン酸
  • (2S,4S,5R,6R)-2-{[(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-6-(aminooxy)-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Other name (1):
  • 2-O-[1-O-[1-O-Amino-2-(acetylamino)-2,4-dideoxy-β-D-glucopyranose-4-yl]-3-deoxy-β-D-galactopyranose-3-yl]-5-(acetylamino)-3,5-dideoxy-α-D-glycero-D-galacto-2-nonulopyranosonic acid
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