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-Aminoethylphosphonic Acid

Graphical representations:

2-Aminoethylphosphonic acid image

Molecular Formula: C2 H8 N O3 P

Natural Isotopic Abundance Mass: 125.063581

Mono-Isotopic Molecular Masses:

  • C12N14: 125.0241796383
  • C13N14: 127.0308893139
  • C12N15: 126.0212145315
  • C13N15: 128.0279242071

InCHi String: InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)

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

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
2-aminoethylphosphonic acid

PubChem Substance (SID):   85165111   11459161   8150585
PubChem Compound (CID):   339
KEGG: Compound ID   C03557
CAS Registry IDs:   2041-14-7
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Thomson Pharma 00309177   BioCyc CPD-1106   DiscoveryGate 339   DTP/NCI 133837   PDSP nsc133837   ChemDB 6420458   MTDP NSC133837   ChemIDplus 002041147   Emory University Molecular Libraries Screening Center NCI133837   ChEBI CHEBI:15573   EINECS 218-043-0   NCGC NCGC00014327   Sigma-Aldrich 268674_ALDRICH

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.