In-Silico Structure Database (LMISSD)
Common Name
PC(15:1(9Z)/13:3(5Z,8E,11E)(10OH,13Ke))
Systematic Name
1-(9Z-pentadecenoyl)-2-(10-hydroxy-13-oxo-5Z,8E,11E-tridecatrienoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP20019ANR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
699.411137
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
DFICPWHJMAPTAM-RDSMHBNDSA-N
InChi (Click to copy)
InChI=1S/C36H62NO10P/c1-5-6-7-8-9-10-11-12-13-14-18-21-26-35(40)44-31-34(32-46-48(42,43)45-30-28-37(2,3)4)47-36(41)27-22-19-16-15-17-20-24-33(39)25-23-29-38/h9-10,15-16,20,23-25,29,33-34,39H,5-8,11-14,17-19,21-22,26-28,30-32H2,1-4H3/b10-9-,16-15-,24-20+,25-23+/t33?,34-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC/C=C\C/C=C/C(O)/C=C/C=O)=O)COC(CCCCCCC/C=C\CCCCC)=O