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:

(2-hydroxy-3-tetradecanoyloxypropyl) 2-trimethylazaniumylethyl phosphate image

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


PubChem Substance (SID):   n/a
PubChem Compound (CID):   460604
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   MMCD cq_14162

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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,