In-Silico Structure Database (LMISSD)
Common Name
PC(10:0/8:0(8Ke))
Systematic Name
1-decanoyl-2-(8-Oxo-octanoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP20019ABX
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
551.322322
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
CGHPLLKEKDTGJN-XMMPIXPASA-N
InChi (Click to copy)
InChI=1S/C26H50NO9P/c1-5-6-7-8-9-11-14-17-25(29)33-22-24(36-26(30)18-15-12-10-13-16-20-28)23-35-37(31,32)34-21-19-27(2,3)4/h20,24H,5-19,21-23H2,1-4H3/t24-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC=O)=O)COC(CCCCCCCCC)=O