In-Silico Structure Database (LMISSD)
Common Name
PC(14:1(9Z)/5:0(5OH,5Ke))
Systematic Name
1-(9Z-tetradecenoyl)-2-glutaroyl-sn-glycero-3-phosphocholine
LM ID
LMGP20019AK6
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
579.317237
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
NCYLDAKHLWQRRS-XXXZYALBSA-N
InChi (Click to copy)
InChI=1S/C27H50NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-18-26(31)35-22-24(38-27(32)19-16-17-25(29)30)23-37-39(33,34)36-21-20-28(2,3)4/h8-9,24H,5-7,10-23H2,1-4H3,(H-,29,30,33,34)/b9-8-/t24-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCC(=O)O)=O)COC(CCCCCCC/C=C\CCCC)=O