Marvin  03281215542D          

  8  7  0  0  0  0            999 V2000
   14.3859  -17.2137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1003  -16.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2426  -16.8012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9570  -17.2137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6714  -16.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1003  -15.9762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3859  -18.0387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8148  -17.2137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  1  1  0  0  0  0
  2  6  2  0  0  0  0
  8  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  1  1  0  0  0  0
  5  4  1  0  0  0  0
M  END
> <ID>
CHEBI:64307

> <NAME>
2,4-diaminobutyric acid

> <DEFINITION>
A diamino acid that is butyric acid in which a hydrogen at position 2 and a hydrogen at position 4 are replaced by amino groups.

> <STAR>
3

> <SYNONYM>
Dbu; alpha,gamma-diaminobutyric acid; alpha,gamma-diaminobutanoic acid; 2,4-diaminobutanoic acid

> <FORMULA>
C4H10N2O2

> <MASS>
118.13440

> <MONOISOTOPIC_MASS>
118.07423

> <CHARGE>
0

> <SMILES>
NCCC(N)C(O)=O

> <INCHI>
InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)

> <INCHIKEY>
OGNSCSPNOLGXSM-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
305-62-4

> <REAXYS_REGISTRY_NUMBER>
1721676

> <CHEMIDPLUS>
305-62-4

$$$$