In-Silico Structure Database (LMISSD)
Common Name
PC(15:0/18:2(9Z,11E)(13OH[R]))
Systematic Name
1-pentadecanoyl-2-(13R-HODE)-sn-glycero-3-phosphocholine
LM ID
LMGP20019AL0
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
759.541422
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
ZFMZCWOFQRVPFQ-CDPGIHMPSA-N
InChi (Click to copy)
InChI=1S/C41H78NO9P/c1-6-8-10-11-12-13-14-15-18-21-24-28-32-40(44)48-36-39(37-50-52(46,47)49-35-34-42(3,4)5)51-41(45)33-29-25-22-19-16-17-20-23-27-31-38(43)30-26-9-7-2/h20,23,27,31,38-39,43H,6-19,21-22,24-26,28-30,32-37H2,1-5H3/b23-20-,31-27+/t38-,39-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C\C=C\[C@H](O)CCCCC)=O)COC(CCCCCCCCCCCCCC)=O