In-Silico Structure Database (LMISSD)
Common Name
PC(15:0/6:1(4E)(3Ke,6OH,6Ke))
Systematic Name
1-pentadecanoyl-2-(3,6-dioxo-4E-hexenoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP20019AM3
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
621.327802
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
VZROPDLXQIYPFT-FRFCEVEYSA-N
InChi (Click to copy)
InChI=1S/C29H52NO11P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-28(34)38-23-26(41-29(35)22-25(31)18-19-27(32)33)24-40-42(36,37)39-21-20-30(2,3)4/h18-19,26H,5-17,20-24H2,1-4H3,(H-,32,33,36,37)/b19-18+/t26-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CC(=O)/C=C/C(=O)O)=O)COC(CCCCCCCCCCCCCC)=O