In-Silico Structure Database (LMISSD)
Common Name
PC(15:1(9Z)/22:6(4Z,7Z,10Z,13Z,15E,19Z)(17OH))
Systematic Name
1-(9Z-pentadecenoyl)-2-(17-HDoHE)-sn-glycero-3-phosphocholine
LM ID
LMGP20019AOL
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)
WFWVMIHNILIFGE-XMPHQZFASA-N
InChi (Click to copy)
InChI=1S/C45H76NO9P/c1-6-8-10-11-12-13-14-19-22-25-28-32-36-44(48)52-40-43(41-54-56(50,51)53-39-38-46(3,4)5)55-45(49)37-33-29-26-23-20-17-15-16-18-21-24-27-31-35-42(47)34-30-9-7-2/h9,12-13,16-18,20,24,26-27,29-31,35,42-43,47H,6-8,10-11,14-15,19,21-23,25,28,32-34,36-41H2,1-5H3/b13-12-,18-16-,20-17-,27-24-,29-26-,30-9-,35-31+/t42?,43-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C=C\C(O)C/C=C\CC)=O)COC(CCCCCCC/C=C\CCCCC)=O