ChEBI
  Marvin  09140513592D          

 15 15  0  0  1  0            999 V2000
    6.0667   -2.6563    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7674   -2.2481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -3.4813    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3580   -3.9036    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3661   -4.7144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6493   -3.5009    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9487   -3.9091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6493   -2.6759    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3580   -2.2536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406   -2.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2319   -2.6956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7754   -3.8839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4761   -3.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1848   -3.8785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4761   -2.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  9  1  1  0  0  0  0
  3 12  1  6  0  0  0
  4  3  1  0  0  0  0
  4  5  1  1  0  0  0
  6  4  1  0  0  0  0
  6  7  1  1  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
  8 10  1  1  0  0  0
 11 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
M  END
> <ID>
CHEBI:28037

> <NAME>
N-acetyl-D-galactosamine

> <DEFINITION>
The D-enantiomer of N-acetylgalactosamine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:546804; CHEBI:7110; CHEBI:21502

> <SYNONYM>
WURCS=2.0/1,1,0/[a2112h-1x_1-5_2*NCC/3=O]/1/; N-acetyl-D-galactosamine; N-Acetyl-D-galactosamine; N-Acetyl-D-chondrosamine; GalNAc; D-GalNAc; 2-Acetamido-2-deoxy-D-galactose

> <IUPAC_NAME>
2-acetamido-2-deoxy-D-galactopyranose

> <FORMULA>
C8H15NO6

> <MASS>
221.20784

> <MONOISOTOPIC_MASS>
221.08994

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8?/m1/s1

> <INCHIKEY>
OVRNDRQMDRJTHS-KEWYIRBNSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1429037

> <CAS_REGISTRY_NUMBER>
1811-31-0

> <REAXYS_REGISTRY_NUMBER>
1429037

> <CHEMIDPLUS>
1811-31-0

> <KEGG_COMPOUND_ACCESSION>
C01132

> <PUBMED_CITATION>
1429037; 15267227; 15864747; 21512230; 25730476; 26788060; 26854615; 2860067; 7688662; 17905738

$$$$