In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP02019AAF
Common NamePE(10:0/14:1(9Z))
Systematic Name1-decanoyl-2-(9Z-tetradecenoyl)-sn-glycero-3-phosphoethanolamine
SynonymsPE(24:1); PE(10:0_14:1)
Exact Mass
577.3744 (neutral)    Calculate m/z:
FormulaC29H56NO8P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoethanolamines [GP02]
Sub ClassDiacylglycerophosphoethanolamines [GP0201]
PubChem Compound ID (CID)-
InChIKeyPUEOKFZZUZMLAP-YLYQOIPRSA-N
InChIInChI=1S/C29H56NO8P/c1-3-5-7-9-11-12-13-14-16-18-20-22-29(32)38-27(26-37-39(33,3
4)36-24-23-30)25-35-28(31)21-19-17-15-10-8-6-4-2/h9,11,27H,3-8,10,12-26,30H2,1-2
H3,(H,33,34)/b11-9-/t27-/m1/s1
SMILES[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)