Marvin  04151115072D          

  8  7  0  0  0  0            999 V2000
    0.1179   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8323   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966   -0.2062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3111   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0256   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5468   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8323    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3111   -1.4437    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  4  8  2  0  0  0  0
M  END
> <ID>
CHEBI:40410

> <NAME>
N-acetylglycine

> <DEFINITION>
An N-acylglycine where the acyl group is specified as acetyl.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:40405; CHEBI:21610

> <SYNONYM>
Ethanoylaminoethanoic acid; Acetylglycine; Acetylaminoacetic acid; Acetylamino-Acetic Acid; Aceturic acid; Acetamidoacetic acid; Ac-Gly-OH

> <IUPAC_NAME>
N-acetylglycine; (acetylamino)acetic acid

> <FORMULA>
C4H7NO3

> <MASS>
117.10330

> <MONOISOTOPIC_MASS>
117.04259

> <CHARGE>
0

> <SMILES>
CC(=O)NCC(O)=O

> <INCHI>
InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)

> <INCHIKEY>
OKJIRPAQVSHGFK-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
543-24-8

> <REAXYS_REGISTRY_NUMBER>
774114

> <CHEMIDPLUS>
543-24-8

> <DRUGBANK_ACCESSION>
DB02713

> <PDBECHEM_ACCESSION>
AAC

> <PUBMED_CITATION>
18564856; 20188778; 21749142; 22273063; 22770225

$$$$