In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP10029AOC
Common NamePA(O-18:1(11Z)/16:0)
Systematic Name1-(11Z-octadecenyl)-2-hexadecanoyl-sn-glycero-3-phosphate
SynonymsPA(O-34:1); PA(O-18:1/16:0)
Exact Mass
660.5094 (neutral)    Calculate m/z:
FormulaC37H73O7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphates [GP10]
Sub Class1-alkyl,2-acylglycerophosphates [GP1002]
PubChem Compound ID (CID)-
InChIKeyNYQHISYYPJMMFS-MRDDHZETSA-N
InChIInChI=1S/C37H73O7P/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/h13,15,36H,3-1
2,14,16-35H2,1-2H3,(H2,39,40,41)/b15-13-/t36-/m1/s1
SMILES[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCCCCCCCC)=O)COCCCCCCCCCC/C=C\CCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)