In-Silico Structure Database (LMISSD)
Common Name
PC(15:0/4:0(4Ke))
Systematic Name
1-pentadecanoyl-2-(4-oxobutyryl)-sn-glycero-3-phosphocholine
LM ID
LMGP20019AMX
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
565.337972
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
YIFDZWVALPGTAM-RUZDIDTESA-N
InChi (Click to copy)
InChI=1S/C27H52NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-26(30)34-23-25(37-27(31)19-17-21-29)24-36-38(32,33)35-22-20-28(2,3)4/h21,25H,5-20,22-24H2,1-4H3/t25-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC=O)=O)COC(CCCCCCCCCCCCCC)=O