In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20029ABN
Common NamePE(10:0/4:0)
Systematic Name1-decanoyl-2-butyryl-sn-glycero-3-phosphoethanolamine
SynonymsPE(14:0); PE(10:0/4:0)
Exact Mass
439.2335 (neutral)    Calculate m/z:
FormulaC19H38NO8P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphoethanolamines [GP2002]
PubChem Compound ID (CID)-
InChIKeyMZKQDTUGVQDKEL-QGZVFWFLSA-N
InChIInChI=1S/C19H38NO8P/c1-3-5-6-7-8-9-10-12-18(21)25-15-17(28-19(22)11-4-2)16-27-29
(23,24)26-14-13-20/h17H,3-16,20H2,1-2H3,(H,23,24)/t17-/m1/s1
SMILES[C@](COP(=O)(O)OCCN)([H])(OC(CCC)=O)COC(CCCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)