In-Silico Structure Database (LMISSD)
Common Name
PA(15:0/13:2(9E,11E)(13Ke))
Systematic Name
1-pentadecanoyl-2-(13-oxo-9E,11E-tridecedienoyl)-sn-glycero-3-phosphate
LM ID
LMGP20079ALS
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
602.358373
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphates [GP2007]
String Representations
InChiKey (Click to copy)
STQZNSUZDOYSPJ-PJCRSYDSSA-N
InChi (Click to copy)
InChI=1S/C31H55O9P/c1-2-3-4-5-6-7-8-9-12-15-18-21-24-30(33)38-27-29(28-39-41(35,36)37)40-31(34)25-22-19-16-13-10-11-14-17-20-23-26-32/h14,17,20,23,26,29H,2-13,15-16,18-19,21-22,24-25,27-28H2,1H3,(H2,35,36,37)/b17-14+,23-20+/t29-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCC/C=C/C=C/C=O)=O)COC(CCCCCCCCCCCCCC)=O