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Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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L-alpha-Phosphatidylcholine
L_alpha_Phosphatidylcholine synonyms
3-sn-Phosphatidylcholine; 1,2-Diacyl-sn-glycero-3-phosphocholine; PC(16:0/18:2); PC(16:0/18:2(9E,12E)); 3,5,8-Trioxa-4-phosphahexacosa-17,20-dien-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-7-[[(1-oxohexadecyl)oxy]methyl]-, inner salt, 4-oxide, (R)-; 1-hexadecanoyl-2-(9E,12E-octadecadienoyl)-sn-glycero-3-phosphocholine; L-alpha-Phosphatidylcholine solution; L-alpha-Lecithin; LMGP01010592
Graphical representations:
View large 3D structure
Molecular Formula: C42H80NO8P
Natural Isotopic Abundance Mass: 758.060261
Mono-Isotopic Molecular Masses:
- C12N14: 757.56215506
- C13N14: 799.7030582476
- C12N15: 758.5591899532
- C13N15: 800.7000931408
InChI string: InChI=1S/C42H80NO8P/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/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14+,21-20+/t40-/m1/s1
PubChem Compound (CID): 16213884CAS Registry number: 8002-43-5
Beilstein Registry Number: 5209585
EC: 232-307-2
Sigma-Aldrich: 61752_FLUKA
ChemSpider: 17341551
LipidMAPS: LMGP01010592
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)