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

2-amino-3-phosphonopropionic Acid bmse000713 - Data

2-amino-3-phosphonopropionic Acid synonyms

2-Amino-3-phosphonopropanoate; Phosphonoalanine; 2-Amino-3-phosphono-propionic acid; 3-phosphonoalanine

Wikipedia:

Graphical representations:

2-amino-3-phosphonopropionic acid image

View large 3D structure

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)/t2-/m0/s1

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.

Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773