7009640
  CDK     0429211715

  8  7  0  0  0  0  0  0  0  0999 V2000
    3.7934   -0.9818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.2558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.4933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.6683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.2558    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0789   -0.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0 
  2  7  1  0  0  0  0 
  3  7  2  0  0  0  0 
  5  4  1  6  0  0  0 
  4  8  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
M  END
> <ID>
CHEBI:172327

> <NAME>
N-Methylserine

> <STAR>
2

> <IUPAC_NAME>
(2S)-3-hydroxy-2-(methylamino)propanoic acid

> <FORMULA>
C4H9NO3

> <MASS>
119.120

> <MONOISOTOPIC_MASS>
119.05824

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C4H9NO3/c1-5-3(2-6)4(7)8/h3,5-6H,2H2,1H3,(H,7,8)/t3-/m0/s1

> <INCHIKEY>
PSFABYLDRXJYID-VKHMYHEASA-N

> <CAS_REGISTRY_NUMBER>
2480-26-4

> <CHEMIDPLUS>
2480-26-4

> <PDBECHEM_ACCESSION>
5JP

$$$$