Marvin  11221014532D          

 16 15  0  0  1  0            999 V2000
   12.1995   -5.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4851   -5.8626    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7706   -5.4501    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0561   -5.8626    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3417   -5.4501    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1995   -4.6251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7706   -4.6251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0561   -6.6876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3417   -4.6251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9140   -5.8626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6271   -5.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9127   -5.4501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4851   -6.6876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1995   -7.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9140   -6.6876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1995   -7.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  2  0  0  0  0
  2  1  1  0  0  0  0
 10  1  1  0  0  0  0
  2 13  1  6  0  0  0
  3  2  1  0  0  0  0
  3  7  1  6  0  0  0
  4  3  1  0  0  0  0
  4  8  1  6  0  0  0
  5  4  1  0  0  0  0
  5  9  1  1  0  0  0
 11  5  1  0  0  0  0
 11 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <ID>
CHEBI:17411

> <NAME>
aldehydo-N-acetyl-D-glucosamine

> <DEFINITION>
The open-chain form of N-acetyl-D-glucosamine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12563; CHEBI:21517; CHEBI:58134; CHEBI:12455; CHEBI:7123

> <SYNONYM>
N-Acetylchitosamine; N-Acetyl-D-glucosamine; D-GlcNAc; 2-Acetamido-2-deoxy-D-glucose

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

> <FORMULA>
C8H15NO6; C8H15NO6

> <MASS>
221.20780

> <MONOISOTOPIC_MASS>
221.08994

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7+,8+/m0/s1

> <INCHIKEY>
MBLBDJOUHNCFQT-LXGUWJNJSA-N

> <DRUGBANK_ACCESSION>
DB00141

$$$$