In-Silico Structure Database (LMISSD)
Common Name
PC(16:1(7Z)/8:0(8OH,8Ke))
Systematic Name
1-(7Z-hexadecenoyl)-2-(8-Carboxy-heptanoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP20019ASY
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
649.395487
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
LGLOHIICCHFGPD-BKAVPCLVSA-N
InChi (Click to copy)
InChI=1S/C32H60NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-23-31(36)40-27-29(28-42-44(38,39)41-26-25-33(2,3)4)43-32(37)24-21-18-17-19-22-30(34)35/h12-13,29H,5-11,14-28H2,1-4H3,(H-,34,35,38,39)/b13-12-/t29-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC(=O)O)=O)COC(CCCCC/C=C\CCCCCCCC)=O