Biological Magnetic Resonance Data Bank

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


Graphical representations:


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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: 20263-06-3
MDL number: MFCD00014350
MMCD: cq_10570
CAS Registry number: 5652-28-8
Sigma-Aldrich: A4910_SIGMA
811: HMDB00370
ChemBank: NCI60_000747
ChemIDplus: 005652288
KEGG Compound ID: C05672

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,