In-Silico Structure Database (LMISSD)
Common Name
PC(10:0/13:2(9E,11E)(8Ke,13Ke))
Systematic Name
1-decanoyl-2-(8,13-dioxo-9E,11E-tridecadienoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP20019AAH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
631.348537
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
MIBPDNGUEOLJEJ-XQIXSXRYSA-N
InChi (Click to copy)
InChI=1S/C31H54NO10P/c1-5-6-7-8-9-10-16-21-30(35)39-26-29(27-41-43(37,38)40-25-23-32(2,3)4)42-31(36)22-17-12-11-14-19-28(34)20-15-13-18-24-33/h13,15,18,20,24,29H,5-12,14,16-17,19,21-23,25-27H2,1-4H3/b18-13+,20-15+/t29-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC(=O)/C=C/C=C/C=O)=O)COC(CCCCCCCCC)=O