Marvin  06151111122D          

 12 12  0  0  1  0            999 V2000
   11.5979   -4.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5979   -5.0991    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8834   -3.8616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8834   -5.5116    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1690   -4.2741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1690   -5.0991    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3124   -3.8616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3124   -5.5116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8834   -6.3366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4545   -5.5116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4545   -3.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7400   -4.2741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  1  0  0  0
  4  9  1  1  0  0  0
  6 10  1  6  0  0  0
  5 11  1  1  0  0  0
 12 11  1  0  0  0  0
M  END
> <ID>
CHEBI:62325

> <NAME>
2-amino-2-deoxy-D-mannopyranose

> <DEFINITION>
A D-mannosamine in cyclic pyranose form.

> <STAR>
3

> <SYNONYM>
D-Mannosamine; 2-amino-2-deoxymannopyranose; 2-Amino-2-deoxy-D-mannose

> <IUPAC_NAME>
2-amino-2-deoxy-D-mannopyranose

> <FORMULA>
C6H13NO5

> <MASS>
179.17110

> <MONOISOTOPIC_MASS>
179.07937

> <CHARGE>
0

> <SMILES>
N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O

> <INCHI>
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>
MSWZFWKMSRAUBD-CBPJZXOFSA-N

> <CAS_REGISTRY_NUMBER>
14307-02-9

> <REAXYS_REGISTRY_NUMBER>
2042266

> <KEGG_COMPOUND_ACCESSION>
C03570

> <METACYC_ACCESSION>
D-Mannosamines

> <PUBMED_CITATION>
11733018; 15675802; 20045674; 7504304

$$$$