In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP10029ABJ
Common NamePA(O-14:0/20:4(5Z,8Z,10E,14Z))
Systematic Name1-tetradecyl-2-(5Z,8Z,10E,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate
SynonymsPA(O-34:4); PA(O-14:0/20:4)
Exact Mass
654.4624 (neutral)    Calculate m/z:
FormulaC37H67O7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphates [GP10]
Sub Class1-alkyl,2-acylglycerophosphates [GP1002]
PubChem Compound ID (CID)-
InChIKeyWRSISXRZJGACQW-WKEPWEAGSA-N
InChIInChI=1S/C37H67O7P/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/h11,13,18-21,2
4,26,36H,3-10,12,14-17,22-23,25,27-35H2,1-2H3,(H2,39,40,41)/b13-11-,19-18+,21-20
-,26-24-/t36-/m1/s1
SMILES[C@](COP(=O)(O)O)([H])(OC(CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)=O)COCCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)