[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-trimethylazaniumylethyl Phosphate

[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-trimethylazaniumylethyl Phosphate bmse001119 - Data

[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-trimethylazaniumylethyl Phosphate synonyms

16:0-18:1 PC, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine

Wikipedia:

Graphical representations:

[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl]

View large 3D structure

Molecular Formula: C42H82NO8P

Natural Isotopic Abundance Mass: 760.076140999997

Mono-Isotopic Molecular Masses:

  • C12N14: 759.577805219002
  • C13N14: 801.718708415002
  • C12N15: 760.574840112002
  • C13N15: 802.715743308002

InChI string: InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1

PDB Compound ID: LBN
PubChem Compound (CID): 5497103

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, https://www.nature.com/articles/sdata201773)