bmse000932 3-Phosphono-DL-alanine at BMRB

3-Phosphono-DL-alanine

3-Phosphono-DL-alanine; 2-Amino-3-phosphonopropionic acid; Phosphonoalanine; DL-2-Amino-3-phosphonopropionic acid; D-Alanyl-phosphate; 3-Amino-2-oxopropyl phosphate; 2-Amino-3-phosphopropionic acid; 1-amino-propan-2-one-3-phosphate; 2-Amino-3-phosphonopropionate; L-AP3; AP-3

Molecular Formula: C3 H8 N O5 P
Natural Isotopic Abundance Mass: 169.073081
Mono-Isotopic Molecular Masses: C12N14: 169.0140088825; C13N14: 172.0240733959; C12N15: 170.0110437757; C13N15: 173.0211082891

3-Phosphono-DL-alanine

InCHi String:
InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)

canonical and isomeric SMILES:
C(C(C(=O)O)N)P(=O)(O)O

PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
2-amino-3-phosphonopropanoic acid

PUBCHEM iupac TRADITIONAL NAME
2-amino-3-phosphono-propionic acid

PUBCHEM iupac OPENEYE NAME
2-amino-3-phosphono-propanoic acid

PUBCHEM iupac SYSTEMATIC NAME
2-azanyl-3-phosphono-propanoic acid

PubChem Substance (SID):   144080933   126523213   24277949
PubChem Compound (CID):   3857
KEGG: Compound ID   C05672
CAS Registry IDs:   5652-28-8
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 20263-06-3   MDL number MFCD00014350   MMCD cq_10570   Sigma-Aldrich A4910_SIGMA   811 HMDB00370   ChemBank NCI60_000747   ChemIDplus 005652288   ChEMBL CHEMBL88621

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.