In-Silico Structure Database (LMISSD)
Common Name
PC(10:0/8:0(8OH,8Ke))
Systematic Name
1-decanoyl-2-(8-Carboxy-heptanoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP20019ABY
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
567.317237
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
DISRINBBQPSUJZ-HSZRJFAPSA-N
InChi (Click to copy)
InChI=1S/C26H50NO10P/c1-5-6-7-8-9-10-14-17-25(30)34-21-23(22-36-38(32,33)35-20-19-27(2,3)4)37-26(31)18-15-12-11-13-16-24(28)29/h23H,5-22H2,1-4H3,(H-,28,29,32,33)/t23-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC(=O)O)=O)COC(CCCCCCCCC)=O