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9WJ

概要
表記:4-acetamido-4,6-dideoxy-beta-D-mannopyranose
別名:4-(acetylamino)-4,6-dideoxy-beta-D-mannopyranose
4-(acetylamino)-4-deoxy-beta-D-rhamnopyranose; 4-acetamido-4,6-dideoxy-beta-D-mannose; 4-acetamido-4,6-dideoxy-D-mannose; 4-acetamido-4,6-dideoxy-mannose
組成式:C8 H15 N O5
電荷:0
化学式量:205.208 Da
分子種別:D-saccharide, beta linking

化合物名

プログラムバージョン表記
ACDLabs12.014-(acetylamino)-4,6-dideoxy-beta-D-mannopyranose
OpenEye OEToolkits2.0.6~{N}-[(2~{R},3~{S},4~{S},5~{S},6~{R})-2-methyl-4,5,6-tris(oxidanyl)oxan-3-yl]ethanamide
GMML1.0DRhap[4NAc]b

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01OC1C(C(OC(C1NC(=O)C)C)O)O
InChIInChI1.03InChI=1S/C8H15NO5/c1-3-5(9-4(2)10)6(11)7(12)8(13)14-3/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5-,6+,7+,8-/m1/s1
InChIKeyInChI1.03LMIZXKMXHCOVTQ-NDBSEGGWSA-N
SMILES_CANONICALCACTVS3.385C[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O
SMILESCACTVS3.385C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1NC(C)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)NC(=O)C
SMILESOpenEye OEToolkits2.0.6CC1C(C(C(C(O1)O)O)O)NC(=O)C

224931

件を2024-09-11に公開中

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