BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

2-amino-3-phosphonopropionic acid

Graphical representations:

2-amino-3-phosphonopropionic acid image

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

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):   10319455   85437198   7979
PubChem Compound (CID):   3857
KEGG: Compound ID   C05672
CAS Registry IDs:   23052-80-4
PDB Chemical Component   APO
Miscellaneous Databases and IDs:   ChEBI CHEBI:244030   PDSP nsc133887   MMCD cq_10570   MDL MFCD00005988

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.