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NGZ

概要
表記:2-acetamido-2-deoxy-alpha-L-glucopyranose
別名:N-acetyl-alpha-L-glucosamine
2-acetamido-2-deoxy-alpha-L-glucose; 2-acetamido-2-deoxy-L-glucose; 2-acetamido-2-deoxy-glucose; 2-(ACETYLAMINO)-2-DEOXY-ALPHA-L-GLUCOPYRANOSE
組成式:C8 H15 N O6
電荷:0
化学式量:221.208 Da
分子種別:L-saccharide, alpha linking

化合物名

プログラムバージョン表記
ACDLabs12.012-(acetylamino)-2-deoxy-alpha-L-glucopyranose
OpenEye OEToolkits1.7.6N-[(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide
GMML1.0LGlcpNAca
GMML1.0N-acetyl-a-L-glucopyranosamine
PDB-CARE1.0a-L-GlcpNAc
GMML1.0GlcNAc

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01C1(C(C(C(C(CO)O1)O)O)NC(C)=O)O
InChIInChI1.03InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8+/m0/s1
InChIKeyInChI1.03OVRNDRQMDRJTHS-DMHSOCPYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)N[C@@H]1[C@H](O)O[C@@H](CO)[C@H](O)[C@H]1O
SMILESCACTVS3.385CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(=O)N[C@H]1[C@@H]([C@H]([C@@H](O[C@H]1O)CO)O)O
SMILESOpenEye OEToolkits1.7.6CC(=O)NC1C(C(C(OC1O)CO)O)O

223532

件を2024-08-07に公開中

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