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ScientificNameLabel
Alpha-Lysolecithin
PHCD compound ID : 4736
Chemical Names :
Alpha-Lysolecithin
Molecular Formula : C26H52N1O7P1
Molecular Weight : 521.34814
More Details :
Names & Synonyms: [(2R)-2-hydroxy-3-[(Z)-octadec-9-enoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate , [(2R)-2-hydroxy-3-[(Z)-1-oxooctadec-9-enoxy]propyl] 2-(trimethylammonio)ethyl phosphate , [(2R)-2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate , [(2R)-3-[(Z)-octadec-9-enoyl]oxy-2-oxidanyl-propyl] 2-(trimethylazaniumyl)ethyl phosphate
Smiles: CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(OCC[N+](C)(C)C)[O-])O
InChi : InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/b13-12-/t25-/m1/s1
InChi Key : InChIKey=YAMUFBLWGFFICM-PTGWMXDISA-N
PubChem ID : 16081932
Rotatable bond count : 25 Rule of five : 2
Hydrogen bond acceptor count : 7 Ionization potential : 8.567651
Hydrogen bond donor count : 1 Electric dipole moment : 15.476
XLogP : 6.084 VDW volume : 545.334742
Molecular weight : 521.34814 HOMO-LUMO gap : 8.247000
Herb list :
Refrences & Litretures:
  
750.      Journal:'Phytochemistry'      Year:'2009'      Volume:'70'      Page:'924'      DOI:'10.1016/j.phytochem.2009.04.019'      Title:'A comprehensive metabolite profiling of Isatis tinctoria leaf extracts'
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