Marvin  12100716402D          

 17 17  0  0  0  0            999 V2000
   -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
    0.7145    0.4125    0.0000 C   0  0  3  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
    0.0000   -0.8250    0.0000 C   0  0  1  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
   -1.4289   -0.8250    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
   -0.7145   -2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   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
    0.0000   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    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  9  1  6  0  0  0
  1  2  1  0  0  0  0
  2  7  1  1  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  6  0  0  0
  5  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5 14  1  1  0  0  0
  2  6  1  0  0  0  0
  3  6  1  0  0  0  0
  7 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  1  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
M  END
> <ID>
CHEBI:7027

> <NAME>
2-amino-3-O-[(R)-1-carboxyethyl]-2-deoxy-D-glucopyranose

> <DEFINITION>
The pyranose form of muramic acid.

> <STAR>
3

> <SYNONYM>
Muramic acid; 3-O-alpha-Carboxyethyl-D-glucosamine; 2-Amino-3-O-D-1-carboxyethyl-2-deoxy-D-glucose

> <IUPAC_NAME>
2-amino-3-O-[(1R)-1-carboxyethyl]-2-deoxy-D-glucopyranose

> <FORMULA>
C9H17NO7

> <MASS>
251.23382

> <MONOISOTOPIC_MASS>
251.10050

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7-,9?/m1/s1

> <INCHIKEY>
MSFSPUZXLOGKHJ-PGYHGBPZSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2334586

> <CAS_REGISTRY_NUMBER>
484-57-1

> <REAXYS_REGISTRY_NUMBER>
2334586

> <CHEMIDPLUS>
484-57-1

> <KEGG_COMPOUND_ACCESSION>
C06470

> <WIKIPEDIA_ACCESSION>
Muramic_acid

$$$$