Mrv0541 11281416372D          

 10  9  0  0  0  0            999 V2000
    4.8135   -0.7039    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.5280   -0.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0990   -0.2914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8135   -1.5289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2424   -0.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9569   -0.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2425   -1.5289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6714   -0.7039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9569    0.5336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6029    0.0953    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
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  1 10  1  0  0  0  0
M  END
> <ID>
CHEBI:28388

> <NAME>
2-amino-3-phosphonopropanoic acid

> <DEFINITION>
A non-proteinogenc α-amino acid that is alanine in which one of the hydrogens of the terminal methyl group has been replaced by a dihydroxy(oxido)-λ5-phosphanyl group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:999; CHEBI:19451

> <SYNONYM>
phosphonoalanine; 2-azanyl-3-phosphono-propanoic acid; 2-AP3; 2-amino-3-phosprop; 2-amino-3-phosphopropionic acid; 2-amino-3-phosphonopropionic acid; 2-amino-3-phosphonopropanoic acid; 2-amino-3-phosphono-propionic acid; 2-amino-3-phosphono-propanoic acid

> <IUPAC_NAME>
3-phosphonoalanine

> <FORMULA>
C3H8NO5P

> <MASS>
169.07310

> <CHARGE>
0

> <SMILES>
NC(CP(O)(O)=O)C(O)=O

> <INCHI>
InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)

> <INCHIKEY>
LBTABPSJONFLPO-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
5652-28-8

> <CHEMIDPLUS>
5652-28-8

> <KEGG_COMPOUND_ACCESSION>
C05672

> <PUBMED_CITATION>
19191873; 20504719; 2627760; 30119975; 4622267; 8836635

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