In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP02019ACW
Common NamePE(11:0/17:0)
Systematic Name1-undecanoyl-2-heptadecanoyl-sn-glycero-3-phosphoethanolamine
SynonymsPE(28:0); PE(11:0_17:0)
Exact Mass
635.4526 (neutral)    Calculate m/z:
FormulaC33H66NO8P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoethanolamines [GP02]
Sub ClassDiacylglycerophosphoethanolamines [GP0201]
PubChem Compound ID (CID)-
InChIKeyGCOCYIRUZDONAP-WJOKGBTCSA-N
InChIInChI=1S/C33H66NO8P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-33(36)42-31(30-4
1-43(37,38)40-28-27-34)29-39-32(35)25-23-21-19-12-10-8-6-4-2/h31H,3-30,34H2,1-2H
3,(H,37,38)/t31-/m1/s1
SMILES[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)