In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP10029AVE
Common NamePA(O-20:1(11Z)/17:2(9Z,12Z))
Systematic Name1-(11Z-eicosenyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycero-3-phosphate
SynonymsPA(O-37:3); PA(O-20:1/17:2)
Exact Mass
698.5250 (neutral)    Calculate m/z:
FormulaC40H75O7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphates [GP10]
Sub Class1-alkyl,2-acylglycerophosphates [GP1002]
PubChem Compound ID (CID)-
InChIKeyVWROGHZJTKDWIM-IHPICROYSA-N
InChIInChI=1S/C40H75O7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-45-37
-39(38-46-48(42,43)44)47-40(41)35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h10,1
2,16-19,39H,3-9,11,13-15,20-38H2,1-2H3,(H2,42,43,44)/b12-10-,18-16-,19-17-/t39-/
m1/s1
SMILES[C@](COP(=O)(O)O)([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)COCCCCCCCCCC/C=C\CCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)