Marvin  05160821452D          

  7  6  0  0  0  0            999 V2000
   -0.7145    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1650    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7145    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.1650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.1650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.9900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  7  2  1  0  0  0  0
  2  3  1  0  0  0  0
  6  3  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
M  END
> <ID>
CHEBI:18383

> <NAME>
3-aminoalanine

> <DEFINITION>
A diamino acid that is alanine in which one of the hydrogens of the methyl group is replaced by an amino group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:11419; CHEBI:876; CHEBI:19309

> <SYNONYM>
Dpr; Dap; 2,3-Diaminopropionic acid; 2,3-diaminopropionic acid; 2,3-Diaminopropionate; 2,3-diaminopropanoic acid; 2,3-Diaminopropanoic acid; 2,3-diaminopropanoic acid; 2,3-Diaminopropanoate

> <IUPAC_NAME>
2,3-diaminopropanoic acid

> <FORMULA>
C3H8N2O2

> <MASS>
104.10790

> <MONOISOTOPIC_MASS>
104.05858

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)

> <INCHIKEY>
PECYZEOJVXMISF-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
515-94-6

> <REAXYS_REGISTRY_NUMBER>
1721398

> <CHEMIDPLUS>
515-94-6

> <KEGG_COMPOUND_ACCESSION>
C06393

> <METACYC_ACCESSION>
CPD-1782

> <PUBMED_CITATION>
20480482; 24144917

$$$$