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

View large 3D structure

Molecular Formula: C3H8NO5P

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

PubChem Compound (CID): 3857
CAS Registry number: 23052-80-4
ChEBI: CHEBI:244030
KEGG Compound ID: C05672
PDSP: nsc133887
MMCD: cq_10570
MDL: MFCD00005988
PDB Compound ID: APO

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (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)