In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP02039DDF
Common NamePE(P-14:0/10:0)
Systematic Name1-(1Z-tetradecenyl)-2-decanoyl-sn-glycero-3-phosphoethanolamine
SynonymsPE(P-24:0); PE(P-14:0/10:0)
Exact Mass
563.3951 (neutral)    Calculate m/z:
FormulaC29H58NO7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoethanolamines [GP02]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphoethanolamines [GP0203]
PubChem Compound ID (CID)-
InChIKeyLZJNSURHXMJFRM-QDXNIAMJSA-N
InChIInChI=1S/C29H58NO7P/c1-3-5-7-9-11-12-13-14-15-17-19-21-24-34-26-28(27-36-38(32,3
3)35-25-23-30)37-29(31)22-20-18-16-10-8-6-4-2/h21,24,28H,3-20,22-23,25-27,30H2,1
-2H3,(H,32,33)/b24-21-/t28-/m1/s1
SMILES[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)