In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20029AZE
Common NamePE(17:2(9Z,12Z)/2:0)
Systematic Name1-(9Z,12Z-heptadecadienoyl)-2-acetyl-sn-glycero-3-phosphoethanolamine
SynonymsPE(19:2); PE(17:2/2:0)
Exact Mass
505.2805 (neutral)    Calculate m/z:
FormulaC24H44NO8P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphoethanolamines [GP2002]
PubChem Compound ID (CID)-
InChIKeyZVOSUYMMCUSXRD-HTBJJZHRSA-N
InChIInChI=1S/C24H44NO8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)30-20-23(33-2
2(2)26)21-32-34(28,29)31-19-18-25/h6-7,9-10,23H,3-5,8,11-21,25H2,1-2H3,(H,28,29)
/b7-6-,10-9-/t23-/m1/s1
SMILES[C@](COP(=O)(O)OCCN)([H])(OC(C)=O)COC(CCCCCCC/C=C\C/C=C\CCCC)=O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)