In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20029ABS
Common NamePE(10:0/6:1(4E)(6Ke))
Systematic Name1-decanoyl-2-(6-oxo-4E-hexenoyl)-sn-glycero-3-phosphoethanolamine
SynonymsPE(16:1(Ke)); PE(10:0/6:1(Ke))
Exact Mass
479.2284 (neutral)    Calculate m/z:
FormulaC21H38NO9P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphoethanolamines [GP2002]
PubChem Compound ID (CID)-
InChIKeySAGVVDYZWGRHFK-UFUQCMIWSA-N
InChIInChI=1S/C21H38NO9P/c1-2-3-4-5-6-7-9-12-20(24)28-17-19(18-30-32(26,27)29-16-14-2
2)31-21(25)13-10-8-11-15-23/h8,11,15,19H,2-7,9-10,12-14,16-18,22H2,1H3,(H,26,27)
/b11-8+/t19-/m1/s1
SMILES[C@](COP(=O)(O)OCCN)([H])(OC(CC/C=C/C=O)=O)COC(CCCCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)