In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP10039ABJ
Common NamePA(P-16:0/20:4(5Z,8Z,10E,14Z))
Systematic Name1-(1Z-hexadecenyl)-2-(5Z,8Z,10E,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate
SynonymsPA(P-36:4); PA(P-16:0/20:4)
Exact Mass
680.4781 (neutral)    Calculate m/z:
FormulaC39H69O7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphates [GP10]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphates [GP1003]
PubChem Compound ID (CID)-
InChIKeyDYNYIOWCUCOFMS-OMWLZTIFSA-N
InChIInChI=1S/C39H69O7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-39(40)46
-38(37-45-47(41,42)43)36-44-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,1
9-22,26,28,33,35,38H,3-10,12,14-18,23-25,27,29-32,34,36-37H2,1-2H3,(H2,41,42,43)
/b13-11-,20-19+,22-21-,28-26-,35-33-/t38-/m1/s1
SMILES[C@](COP(=O)(O)O)([H])(OC(CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)=O)CO/C=C\CCCCCCCCCCCCC
C
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)