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:


View large 3D structure

Molecular Formula: C9H21NO7P+

Natural Isotopic Abundance Mass: 286.239301

Mono-Isotopic Molecular Masses:

  • C12N14: 286.105563544
  • C13N14: 295.1357570842
  • C12N15: 287.1025984372
  • C13N15: 296.1327919774

InChI string: InChI=1S/C9H20NO7P/c1-10(2,3)4-5-16-18(13,14)17-7-9(6-11)15-8-12/h8-9,11H,4-7H2,1-3H3/p+1/t9-/m1/s1

PubChem Compound (CID): 24798682
CAS Registry number: 9008-30-4
MDL number: MFCD00131444
EC Number: 232-715-0
ChEBI: CHEBI:16728

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,