In-Silico Structure Database (LMISSD)
Common Name
PC(15:0/11:1(9E)(11Ke))
Systematic Name
1-pentadecanoyl-2-(11-Oxo-9E-undecenoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP20019ALM
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
661.431872
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
RJUQQSJACKESLI-MEBHOSQOSA-N
InChi (Click to copy)
InChI=1S/C34H64NO9P/c1-5-6-7-8-9-10-11-12-13-16-19-22-25-33(37)41-30-32(31-43-45(39,40)42-29-27-35(2,3)4)44-34(38)26-23-20-17-14-15-18-21-24-28-36/h21,24,28,32H,5-20,22-23,25-27,29-31H2,1-4H3/b24-21+/t32-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C/C=O)=O)COC(CCCCCCCCCCCCCC)=O