Marvin  12110709282D          

 12 12  0  0  1  0            999 V2000
    0.0000   -0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  1  0  0  0
  2  1  1  0  0  0  0
  2 10  1  6  0  0  0
  3  8  1  1  0  0  0
  4  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4 12  1  6  0  0  0
  5  2  1  0  0  0  0
  5  7  1  1  0  0  0
  6  5  1  0  0  0  0
  6  3  1  0  0  0  0
 11  7  1  0  0  0  0
M  END
> <ID>
CHEBI:28393

> <NAME>
beta-D-glucosamine

> <DEFINITION>
A 2-amino-2-deoxy-D-glucopyranose that is D-glucosamine having a ?-configuration at the anomeric position.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:10396; CHEBI:42813; CHEBI:22794

> <SYNONYM>
WURCS=2.0/1,1,0/[a2122h-1b_1-5_2*N]/1/; D-GLUCOSAMINE; beta-D-glucosamine; beta-D-Glucosamine

> <IUPAC_NAME>
2-amino-2-deoxy-beta-D-glucopyranose

> <FORMULA>
C6H13NO5

> <MASS>
179.17116

> <MONOISOTOPIC_MASS>
179.07937

> <CHARGE>
0

> <SMILES>
N[C@H]1[C@H](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-QZABAPFNSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1723616

> <CAS_REGISTRY_NUMBER>
3416-24-8

> <GMELIN_REGISTRY_NUMBER>
720725

> <REAXYS_REGISTRY_NUMBER>
1723616

> <KEGG_COMPOUND_ACCESSION>
C08349

> <KNAPSACK_ACCESSION>
C00001121

> <METACYC_ACCESSION>
CPD-12539

> <PDBECHEM_ACCESSION>
GCS

> <PUBMED_CITATION>
23817094; 24455869

$$$$