In-Silico Structure Database (LMISSD)
Common Name
PC(16:1(7Z)/6:1(4E)(6Ke))
Systematic Name
1-(7Z-hexadecenoyl)-2-(6-oxo-4E-hexenoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP20019ASS
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
603.353622
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
MJQGHUXITXXRKO-RXQJQCAWSA-N
InChi (Click to copy)
InChI=1S/C30H54NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-21-29(33)37-26-28(40-30(34)22-19-17-20-24-32)27-39-41(35,36)38-25-23-31(2,3)4/h12-13,17,20,24,28H,5-11,14-16,18-19,21-23,25-27H2,1-4H3/b13-12-,20-17+/t28-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CC/C=C/C=O)=O)COC(CCCCC/C=C\CCCCCCCC)=O