In-Silico Structure Database (LMISSD)
Common Name
PC(15:0/11:2(6E,8E)(5OH,10OH,11Ke))
Systematic Name
1-pentadecanoyl-2-(5,10-Dihydroxy-11-oxo-6E,8E-undecadienoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP20019ALN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
691.406052
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
SFWGQNZVFALGDO-SWEUAPDISA-N
InChi (Click to copy)
InChI=1S/C34H62NO11P/c1-5-6-7-8-9-10-11-12-13-14-15-16-23-33(39)43-28-32(29-45-47(41,42)44-26-25-35(2,3)4)46-34(40)24-19-22-30(37)20-17-18-21-31(38)27-36/h17-18,20-21,27,30-32,37-38H,5-16,19,22-26,28-29H2,1-4H3/b20-17+,21-18+/t30?,31?,32-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCC(O)/C=C/C=C/C(O)C=O)=O)COC(CCCCCCCCCCCCCC)=O