In-Silico Structure Database (LMISSD)
Common Name
PC(15:0/13:2(9E,11E)(13Ke))
Systematic Name
1-pentadecanoyl-2-(13-oxo-9E,11E-tridecedienoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP20019ALS
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
687.447522
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
CGWLUWDYTDBWTN-JRSUSGLWSA-N
InChi (Click to copy)
InChI=1S/C36H66NO9P/c1-5-6-7-8-9-10-11-12-15-18-21-24-27-35(39)43-32-34(33-45-47(41,42)44-31-29-37(2,3)4)46-36(40)28-25-22-19-16-13-14-17-20-23-26-30-38/h17,20,23,26,30,34H,5-16,18-19,21-22,24-25,27-29,31-33H2,1-4H3/b20-17+,26-23+/t34-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C/C=C/C=O)=O)COC(CCCCCCCCCCCCCC)=O