In-Silico Structure Database (LMISSD)
Common Name
PC(15:1(9Z)/22:6(5E,7Z,10Z,13Z,16Z,19Z)(4OH))
Systematic Name
1-(9Z-pentadecenoyl)-2-(4-HDoHE)-sn-glycero-3-phosphocholine
LM ID
LMGP20019AOS
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
805.525772
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
LQPPFJKSIUJNTK-QRZGVDPQSA-N
InChi (Click to copy)
InChI=1S/C45H76NO9P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-42(47)36-37-45(49)55-43(41-54-56(50,51)53-39-38-46(3,4)5)40-52-44(48)35-33-31-29-27-25-19-17-15-13-11-9-7-2/h8,10,14-17,20-21,23-24,28,30,32,34,42-43,47H,6-7,9,11-13,18-19,22,25-27,29,31,33,35-41H2,1-5H3/b10-8-,16-14-,17-15-,21-20-,24-23-,30-28-,34-32+/t42?,43-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC(O)/C=C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCC/C=C\CCCCC)=O