95Z
Summary
Name: | 2-amino-2-deoxy-alpha-D-mannopyranose |
Synonyms: | alpha-D-mannosamine 2-amino-2-deoxy-alpha-D-mannose; 2-amino-2-deoxy-D-mannose; 2-amino-2-deoxy-mannose |
Formula: | C6 H13 N O5 |
Formal charge: | 0 |
Formula weight: | 179.171 Da |
Component type: | D-saccharide, alpha linking |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | (2~{S},3~{S},4~{R},5~{S},6~{R})-3-azanyl-6-(hydroxymethyl)oxane-2,4,5-triol |
GMML | 1.0 | DManpNa |
GMML | 1.0 | a-D-mannopyranosamine |
PDB-CARE | 1.0 | a-D-ManpN |
GMML | 1.0 | ManN |
Chemical Descriptors
Type | Program | Version | Descriptor |
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-RXRWUWDJSA-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 | 2.0.6 | C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)N)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | C(C1C(C(C(C(O1)O)N)O)O)O |