In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP10039DEN
Common NamePA(P-14:0/20:4(5E,8E,11E,14E))
Systematic Name1-(1Z-tetradecenyl)-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3-phosphate
SynonymsPA(P-34:4); PA(P-14:0/20:4)
Exact Mass
652.4468 (neutral)    Calculate m/z:
FormulaC37H65O7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphates [GP10]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphates [GP1003]
PubChem Compound ID (CID)-
InChIKeyJZCGKXNQOUTFQW-GKSGGACPSA-N
InChIInChI=1S/C37H65O7P/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/h11,13,17-18,2
0-21,24,26,31,33,36H,3-10,12,14-16,19,22-23,25,27-30,32,34-35H2,1-2H3,(H2,39,40,
41)/b13-11+,18-17+,21-20+,26-24+,33-31-/t36-/m1/s1
SMILES[C@](COP(=O)(O)O)([H])(OC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O)CO/C=C\CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)