In-Silico Structure Database (LMISSD)
Common Name
PC(15:1(9Z)/13:2(9E,11E)(8OH,13Ke))
Systematic Name
1-(9Z-pentadecenoyl)-2-(8-hydroxy-13-oxo-9E,11E-tridecadienoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP20019ANQ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
701.426787
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
OHHNOAUZQFDOEX-KGMOZWISSA-N
InChi (Click to copy)
InChI=1S/C36H64NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-21-26-35(40)44-31-34(32-46-48(42,43)45-30-28-37(2,3)4)47-36(41)27-22-17-16-19-24-33(39)25-20-18-23-29-38/h9-10,18,20,23,25,29,33-34,39H,5-8,11-17,19,21-22,24,26-28,30-32H2,1-4H3/b10-9-,23-18+,25-20+/t33?,34-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC(O)/C=C/C=C/C=O)=O)COC(CCCCCCC/C=C\CCCCC)=O