In-Silico Structure Database (LMISSD)
Common Name
PC(13:0/18:2(9Z,12Z)(8OH[S]))
Systematic Name
1-tridecanoyl-2-(8S-HODE)-sn-glycero-3-phosphocholine
LM ID
LMGP20019AGF
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
731.510122
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
UGECKMZHPKNCIO-RDKYFHHFSA-N
InChi (Click to copy)
InChI=1S/C39H74NO9P/c1-6-8-10-12-14-16-17-19-21-26-30-38(42)46-34-37(35-48-50(44,45)47-33-32-40(3,4)5)49-39(43)31-27-23-22-25-29-36(41)28-24-20-18-15-13-11-9-7-2/h15,18,24,28,36-37,41H,6-14,16-17,19-23,25-27,29-35H2,1-5H3/b18-15-,28-24-/t36-,37-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCC[C@H](O)/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCC)=O