BMRB

Biological Magnetic Resonance Data Bank


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

Phosphonoacetic Acid

Graphical representations:

Phosphonoacetic acid image

Molecular Formula: C2 H5 O5 P

Natural Isotopic Abundance Mass: 140.031861

Mono-Isotopic Molecular Masses:

  • C12N14: 139.987459781
  • C13N14: 141.9941694566
  • C12N15: 139.987459781
  • C13N15: 141.9941694566

InCHi String: InChI=1/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)/f/h3,5-6H

Canonical and Isomeric SMILES: C(C(=O)O)P(=O)(O)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
Phosphonoacetic acid

PubChem Substance (SID):   24857145   2502   10522948
PubChem Compound (CID):   546
KEGG: Compound ID   C05682
CAS Registry IDs:   4408-78-0   7230-09-3   36983-81-0
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 284270_ALDRICH   ChEBI CHEBI:15732   BioCyc CPD-764   ChemIDplus 004408780   ChemSpider 13468441   EINECS 224-558-1   PDSP nsc138745   DrugBank DB02823   Beilstein Handbook Reference 4-04-00-03612   ChemDB 7230093   NIST Chemistry WebBook 3946894231

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.