In-Silico Structure Database (LMISSD)
Common Name
PC(16:1(7Z)/4:1(3E))
Systematic Name
1-(7Z-hexadecenoyl)-2-3E-butenoyl-sn-glycero-3-phosphocholine
LM ID
LMGP20019ASO
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
561.343057
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
MIZXUSUCUGZFMR-BUOWTUAJSA-N
InChi (Click to copy)
InChI=1S/C28H52NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-27(30)34-24-26(37-28(31)20-7-2)25-36-38(32,33)35-23-22-29(3,4)5/h7,14-15,26H,2,6,8-13,16-25H2,1,3-5H3/b15-14-/t26-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CC=C)=O)COC(CCCCC/C=C\CCCCCCCC)=O