In-Silico Structure Database (LMISSD)
Common Name
PC(10:0/11:1(9E)(11Ke))
Systematic Name
1-decanoyl-2-(11-Oxo-9E-undecenoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP20019AAA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
591.353622
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
QCWZHLXUTFJECF-IHPPKGGTSA-N
InChi (Click to copy)
InChI=1S/C29H54NO9P/c1-5-6-7-8-11-14-17-20-28(32)36-25-27(26-38-40(34,35)37-24-22-30(2,3)4)39-29(33)21-18-15-12-9-10-13-16-19-23-31/h16,19,23,27H,5-15,17-18,20-22,24-26H2,1-4H3/b19-16+/t27-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C/C=O)=O)COC(CCCCCCCCC)=O