In-Silico Structure Database (LMISSD)
Common Name
PA(15:0/18:2(9Z,11E)(13OH[S]))
Systematic Name
1-pentadecanoyl-2-(13S-HODE)-sn-glycero-3-phosphate
LM ID
LMGP20079AL1
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)
UJDWOSBQJHRIDO-WBMFLHPOSA-N
InChi (Click to copy)
InChI=1S/C36H67O9P/c1-3-5-7-8-9-10-11-12-15-18-21-25-29-35(38)43-31-34(32-44-46(40,41)42)45-36(39)30-26-22-19-16-13-14-17-20-24-28-33(37)27-23-6-4-2/h17,20,24,28,33-34,37H,3-16,18-19,21-23,25-27,29-32H2,1-2H3,(H2,40,41,42)/b20-17-,28-24+/t33-,34+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCC/C=C\C=C\[C@@H](O)CCCCC)=O)COC(CCCCCCCCCCCCCC)=O