In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP10039DEJ
Common NamePA(P-14:0/20:2(11Z,14Z))
Systematic Name1-(1Z-tetradecenyl)-2-(11Z,14Z-eicosadienoyl)-sn-glycero-3-phosphate
SynonymsPA(P-34:2); PA(P-14:0/20:2)
Exact Mass
656.4781 (neutral)    Calculate m/z:
FormulaC37H69O7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphates [GP10]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphates [GP1003]
PubChem Compound ID (CID)-
InChIKeyOTQCXMSVAYTTPS-NBPKJOPBSA-N
InChIInChI=1S/C37H69O7P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-37(38)44
-36(35-43-45(39,40)41)34-42-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,3
1,33,36H,3-10,12,14-16,19-30,32,34-35H2,1-2H3,(H2,39,40,41)/b13-11-,18-17-,33-31
-/t36-/m1/s1
SMILES[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCC/C=C\C/C=C\CCCCC)=O)CO/C=C\CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)