In-Silico Structure Database (LMISSD)
Common Name
PC(16:0/8:0(8Ke))
Systematic Name
1-hexadecanoyl-2-(8-Oxo-octanoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP20019AQ1
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
635.416222
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
UQXQLYSLVBHYLK-SSEXGKCCSA-N
InChi (Click to copy)
InChI=1S/C32H62NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-17-20-23-31(35)39-28-30(42-32(36)24-21-18-16-19-22-26-34)29-41-43(37,38)40-27-25-33(2,3)4/h26,30H,5-25,27-29H2,1-4H3/t30-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC=O)=O)COC(CCCCCCCCCCCCCCC)=O