In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP10029ARB
Common NamePA(O-18:1(9Z)/18:4(6Z,9Z,12Z,15Z))
Systematic Name1-(9Z-octadecenyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycero-3-phosphate
SynonymsPA(O-36:5); PA(O-18:1/18:4)
Exact Mass
680.4781 (neutral)    Calculate m/z:
FormulaC39H69O7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphates [GP10]
Sub Class1-alkyl,2-acylglycerophosphates [GP1002]
PubChem Compound ID (CID)-
InChIKeyBSAKCJQAOCYABN-FQDJQGKGSA-N
InChIInChI=1S/C39H69O7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44-36-38(37
-45-47(41,42)43)46-39(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,
14,17-20,24,26,38H,3-5,7,9-11,13,15-16,21-23,25,27-37H2,1-2H3,(H2,41,42,43)/b8-6
-,14-12-,19-17-,20-18-,26-24-/t38-/m1/s1
SMILES[C@](COP(=O)(O)O)([H])(OC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COCCCCCCCC/C=C\CCCCCC
CC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)