Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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(2-hydroxy-3-tetradecanoyloxypropyl) 2-trimethylazaniumylethyl Phosphate

(2-hydroxy-3-tetradecanoyloxypropyl) 2-trimethylazaniumylethyl Phosphate synonyms



Graphical representations:


View large 3D structure

Molecular Formula: C22H46NO7P

Natural Isotopic Abundance Mass: 467.576901000001

Mono-Isotopic Molecular Masses:

  • C12N14: 467.301189447001
  • C13N14: 489.374995883001
  • C12N15: 468.298224340001
  • C13N15: 490.372030776001

InChI string: InChI=1S/C22H46NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23(2,3)4/h21,24H,5-20H2,1-4H3/t21-/m1/s1

MMCD: cq_14162
PubChem Compound (CID): 460604

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,