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NGA

Summary
Name:2-acetamido-2-deoxy-beta-D-galactopyranose
Synonyms:N-acetyl-beta-D-galactosamine
2-acetamido-2-deoxy-beta-D-galactose; 2-acetamido-2-deoxy-D-galactose; 2-acetamido-2-deoxy-galactose; N-ACETYL-D-GALACTOSAMINE
Formula:C8 H15 N O6
Formal charge:0
Formula weight:221.208 Da
Component type:D-saccharide, beta linking

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-(acetylamino)-2-deoxy-beta-D-galactopyranose
OpenEye OEToolkits1.6.1N-[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
GMML1.0DGalpNAcb
GMML1.0N-acetyl-b-D-galactopyranosamine
PDB-CARE1.0b-D-GalpNAc
GMML1.0GalNAc

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(NC1C(O)C(O)C(OC1O)CO)C
SMILES_CANONICALCACTVS3.352CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O
SMILESCACTVS3.352CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.7.0CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O
SMILESOpenEye OEToolkits1.7.0CC(=O)NC1C(C(C(OC1O)CO)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-/m1/s1
InChIKeyInChI1.03OVRNDRQMDRJTHS-JAJWTYFOSA-N

217705

건을2024-03-27부터공개중

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