In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP02059AAN
Common NameLPE(17:2(9Z,12Z)/0:0)
Systematic Name1-(9Z,12Z-heptadecadienoyl)-sn-glycero-3-phosphoethanolamine
Synonyms-
Exact Mass
463.2699 (neutral)    Calculate m/z:
FormulaC22H42NO7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoethanolamines [GP02]
Sub ClassMonoacylglycerophosphoethanolamines [GP0205]
PubChem Compound ID (CID)-
InChIKeyMTNRBVAOFPGYKP-AMKDCIQSSA-N
InChIInChI=1S/C22H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20
-30-31(26,27)29-18-17-23/h5-6,8-9,21,24H,2-4,7,10-20,23H2,1H3,(H,26,27)/b6-5-,9-
8-/t21-/m1/s1
SMILES[C@](COP(=O)(O)OCCN)([H])(O)COC(CCCCCCC/C=CC/C=CCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)