In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20079AAS
Common NamePA(10:0/18:2(9Z,15Z)(12OH[R]))
Systematic Name1-decanoyl-2-(12R-HODE)-sn-glycero-3-phosphate
SynonymsPA(28:2(OH)); PA(10:0/18:2(OH))
Exact Mass
604.3740 (neutral)    Calculate m/z:
FormulaC31H57O9P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphates [GP2007]
PubChem Compound ID (CID)-
InChIKeyUISVKRAXHQAAQV-JJKXTBNSSA-N
InChIInChI=1S/C31H57O9P/c1-3-5-7-9-12-16-20-24-30(33)38-26-29(27-39-41(35,36)37)40-31
(34)25-21-17-14-11-10-13-15-19-23-28(32)22-18-8-6-4-2/h6,8,15,19,28-29,32H,3-5,7
,9-14,16-18,20-27H2,1-2H3,(H2,35,36,37)/b8-6-,19-15-/t28-,29-/m1/s1
SMILES[C@](COP(=O)(O)O)([H])(OC(CCCCCCC/C=C\C[C@H](O)CC/C=C\CC)=O)COC(CCCCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)