In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP10039AL2
Common NamePA(P-18:1(9Z)/16:1(7Z))
Systematic Name1-(1Z,9Z-octadecadienyl)-2-(7Z-hexadecenoyl)-sn-glycero-3-phosphate
SynonymsPA(P-34:2); PA(P-18:1/16:1)
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)-
InChIKeyQKXDSUBBKNGEMM-DKVNDQBFSA-N
InChIInChI=1S/C37H69O7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-42-34-36(35
-43-45(39,40)41)44-37(38)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18,20,22,3
1,33,36H,3-16,19,21,23-30,32,34-35H2,1-2H3,(H2,39,40,41)/b18-17-,22-20-,33-31-/t
36-/m1/s1
SMILES[C@](COP(=O)(O)O)([H])(OC(CCCCC/C=C\CCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)