In-Silico Structure Database (LMISSD)
Common Name
PA(15:0/18:2(9Z,12Z)(8OH[S]))
Systematic Name
1-pentadecanoyl-2-(8S-HODE)-sn-glycero-3-phosphate
LM ID
LMGP20079AL3
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
674.452273
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphates [GP2007]
String Representations
InChiKey (Click to copy)
ONJKMDKNPHCBAP-HJKXPVOLSA-N
InChi (Click to copy)
InChI=1S/C36H67O9P/c1-3-5-7-9-11-13-14-15-16-18-20-25-29-35(38)43-31-34(32-44-46(40,41)42)45-36(39)30-26-22-21-24-28-33(37)27-23-19-17-12-10-8-6-4-2/h12,17,23,27,33-34,37H,3-11,13-16,18-22,24-26,28-32H2,1-2H3,(H2,40,41,42)/b17-12-,27-23-/t33-,34-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCC[C@H](O)/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCC)=O