In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP02019AAB
Common NamePE(10:0/11:0)
Systematic Name1-decanoyl-2-undecanoyl-sn-glycero-3-phosphoethanolamine
SynonymsPE(21:0); PE(10:0_11:0)
Exact Mass
537.3431 (neutral)    Calculate m/z:
FormulaC26H52NO8P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoethanolamines [GP02]
Sub ClassDiacylglycerophosphoethanolamines [GP0201]
PubChem Compound ID (CID)-
InChIKeyCUNNELIRAMGTFL-XMMPIXPASA-N
InChIInChI=1S/C26H52NO8P/c1-3-5-7-9-11-13-15-17-19-26(29)35-24(23-34-36(30,31)33-21-2
0-27)22-32-25(28)18-16-14-12-10-8-6-4-2/h24H,3-23,27H2,1-2H3,(H,30,31)/t24-/m1/s
1
SMILES[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCC)=O)COC(CCCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)