X6X
Summary
Name: | 2-amino-2-deoxy-alpha-D-galactopyranose |
Synonyms: | alpha-D-galactosamine 2-amino-2-deoxy-alpha-D-galactose; 2-amino-2-deoxy-D-galactose; 2-amino-2-deoxy-galactose |
Formula: | C6 H13 N O5 |
Formal charge: | 0 |
Formula weight: | 179.171 Da |
Component type: | D-saccharide, alpha linking |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 2-amino-2-deoxy-alpha-D-galactopyranose |
OpenEye OEToolkits | 1.9.2 | (2S,3R,4R,5R,6R)-3-azanyl-6-(hydroxymethyl)oxane-2,4,5-triol |
GMML | 1.0 | DGalpNa |
GMML | 1.0 | a-D-galactopyranosamine |
PDB-CARE | 1.0 | a-D-GalpN |
GMML | 1.0 | GalN |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC1C(OC(C(C1O)N)O)CO |
InChI | InChI | 1.03 | InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4+,5-,6+/m1/s1 |
InChIKey | InChI | 1.03 | MSWZFWKMSRAUBD-DVKNGEFBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O |
SMILES | CACTVS | 3.385 | N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | C(C1C(C(C(C(O1)O)N)O)O)O |