In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP10039DDW
Common NamePA(P-14:0/18:1(13Z))
Systematic Name1-(1Z-tetradecenyl)-2-(13Z-octadecenoyl)-sn-glycero-3-phosphate
SynonymsPA(P-32:1); PA(P-14:0/18:1)
Exact Mass
630.4624 (neutral)    Calculate m/z:
FormulaC35H67O7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphates [GP10]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphates [GP1003]
PubChem Compound ID (CID)-
InChIKeyWBVRWBCGHISUIM-YJZWNOEHSA-N
InChIInChI=1S/C35H67O7P/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/h9,11,29,31,34H,3-8,
10,12-28,30,32-33H2,1-2H3,(H2,37,38,39)/b11-9-,31-29-/t34-/m1/s1
SMILES[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCCCC/C=C\CCCC)=O)CO/C=C\CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)