In-Silico Structure Database (LMISSD)
Common Name
PC(16:1(9Z)/11:2(6E,8E)(5OH,10OH,11Ke))
Systematic Name
1-(9Z-hexadecenoyl)-2-(5,10-Dihydroxy-11-oxo-6E,8E-undecadienoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP20019AS7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
703.406052
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
GHHGXPREZZEPFD-DVHOPUHCSA-N
InChi (Click to copy)
InChI=1S/C35H62NO11P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-24-34(40)44-29-33(30-46-48(42,43)45-27-26-36(2,3)4)47-35(41)25-20-23-31(38)21-18-19-22-32(39)28-37/h10-11,18-19,21-22,28,31-33,38-39H,5-9,12-17,20,23-27,29-30H2,1-4H3/b11-10-,21-18+,22-19+/t31?,32?,33-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCC(O)/C=C/C=C/C(O)C=O)=O)COC(CCCCCCC/C=C\CCCCCC)=O