In-Silico Structure Database (LMISSD)
Common Name
PC(16:1(7Z)/13:2(9E,11E)(8OH,13Ke))
Systematic Name
1-(7Z-hexadecenoyl)-2-(8-hydroxy-13-oxo-9E,11E-tridecadienoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP20019ARI
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
715.442437
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
QSWLGDUSIAGMCL-FTJSXUPQSA-N
InChi (Click to copy)
InChI=1S/C37H66NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-22-27-36(41)45-32-35(33-47-49(43,44)46-31-29-38(2,3)4)48-37(42)28-23-18-17-20-25-34(40)26-21-19-24-30-39/h12-13,19,21,24,26,30,34-35,40H,5-11,14-18,20,22-23,25,27-29,31-33H2,1-4H3/b13-12-,24-19+,26-21+/t34?,35-/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(CCCCC/C=C\CCCCCCCC)=O