In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP10039DD4
Common NamePA(P-14:0/18:2(6Z,9Z))
Systematic Name1-(1Z-tetradecenyl)-2-(6Z,9Z-octadecadienoyl)-sn-glycero-3-phosphate
SynonymsPA(P-32:2); PA(P-14:0/18:2)
Exact Mass
628.4468 (neutral)    Calculate m/z:
FormulaC35H65O7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphates [GP10]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphates [GP1003]
PubChem Compound ID (CID)-
InChIKeyKLXZDBOVCJHDFF-PEDJKSMSSA-N
InChIInChI=1S/C35H65O7P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-35(36)42-34(33
-41-43(37,38)39)32-40-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,20,22,29,31,3
4H,3-16,19,21,23-28,30,32-33H2,1-2H3,(H2,37,38,39)/b18-17-,22-20-,31-29-/t34-/m1
/s1
SMILES[C@](COP(=O)(O)O)([H])(OC(CCCC/C=C\C/C=C\CCCCCCCC)=O)CO/C=C\CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)