In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20019AAR
Common NamePC(10:0/18:2(9Z,12Z)(8OH[S]))
Systematic Name1-decanoyl-2-(8S-HODE)-sn-glycero-3-phosphocholine
SynonymsPC(28:2(OH)); PC(10:0/18:2(OH))
Exact Mass
689.4632 (neutral)    Calculate m/z:
FormulaC36H68NO9P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphocholines [GP2001]
PubChem Compound ID (CID)-
InChIKeyMPKJLTBEPJKPJL-IZUVCSDFSA-N
InChIInChI=1S/C36H68NO9P/c1-6-8-10-12-14-16-17-21-25-33(38)26-22-19-20-24-28-36(40)46
-34(32-45-47(41,42)44-30-29-37(3,4)5)31-43-35(39)27-23-18-15-13-11-9-7-2/h14,16,
21,25,33-34,38H,6-13,15,17-20,22-24,26-32H2,1-5H3/b16-14-,25-21-/t33-,34-/m1/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCC[C@H](O)/C=C\C/C=C\CCCCC)=O)COC(
CCCCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)