In-Silico Structure Database (LMISSD)
Common Name
PA(15:0/18:2(8E,12Z)(10OH[S]))
Systematic Name
1-pentadecanoyl-2-(10S-HODE)-sn-glycero-3-phosphate
LM ID
LMGP20079ALZ
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)
QCZQDDNQBBTDMD-ZSWFPRSDSA-N
InChi (Click to copy)
InChI=1S/C36H67O9P/c1-3-5-7-9-11-12-13-14-15-16-21-25-29-35(38)43-31-34(32-44-46(40,41)42)45-36(39)30-26-22-18-17-20-24-28-33(37)27-23-19-10-8-6-4-2/h19,23-24,28,33-34,37H,3-18,20-22,25-27,29-32H2,1-2H3,(H2,40,41,42)/b23-19-,28-24+/t33-,34+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCC/C=C/[C@@H](O)C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCC)=O