In-Silico Structure Database (LMISSD)
Common Name
PC(15:1(9Z)/18:2(10E,12Z)(9OH[R]))
Systematic Name
1-(9Z-pentadecenoyl)-2-(9R-HODE)-sn-glycero-3-phosphocholine
LM ID
LMGP20019ANS
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
757.525772
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
OBZIRJRFVQTHFQ-UOUUOIHASA-N
InChi (Click to copy)
InChI=1S/C41H76NO9P/c1-6-8-10-12-14-15-16-17-18-20-24-28-32-40(44)48-36-39(37-50-52(46,47)49-35-34-42(3,4)5)51-41(45)33-29-25-21-23-27-31-38(43)30-26-22-19-13-11-9-7-2/h14-15,19,22,26,30,38-39,43H,6-13,16-18,20-21,23-25,27-29,31-37H2,1-5H3/b15-14-,22-19-,30-26+/t38-,39+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC[C@@H](O)/C=C/C=C\CCCCC)=O)COC(CCCCCCC/C=C\CCCCC)=O