MetaCyc Compound: triglyceride estolide

Superclasses: a lipid

Citations: [Isbell06]

Chemical Formula: C81H146O10

Molecular Weight: 1280.0 Daltons

Monoisotopic Molecular Weight: 1279.0916009076002 Daltons

triglyceride estolide compound structure


InChI: InChI=1S/C81H146O10/c1-6-11-16-19-22-25-26-27-28-29-30-41-48-55-62-71-81(86)91-76(72-87-77(82)67-58-51-44-39-33-31-37-42-49-56-65-74(63-14-9-4)89-79(84)69-60-53-46-35-23-20-17-12-7-2)73-88-78(83)68-59-52-45-40-34-32-38-43-50-57-66-75(64-15-10-5)90-80(85)70-61-54-47-36-24-21-18-13-8-3/h22,25,27-28,49-50,56-57,74-76H,6-21,23-24,26,29-48,51-55,58-73H2,1-5H3/b25-22+,28-27+,56-49-,57-50-


Unification Links: PubChem:46173382

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 1319.6735Inferred by computational analysis [Latendresse13]

In Reactions of unknown directionality:

Not in pathways:
lesquerella oil + 2 laurate + 2 H+ = triglyceride estolide + 2 H2O

Created 10-Mar-2010 by Pujar A, Boyce Thompson Institute


Isbell06: Isbell, T.A, Lowery, B.A, DeKeyser, S.S, Winchell, A.L, Cermak, S.C (2006). "Physical properties of triglyceride estolides from lesquerella and castor oils." Industrial Crops and Products, 23, 256-263.

Latendresse13: Latendresse M. (2013). "Computing Gibbs Free Energy of Compounds and Reactions in MetaCyc."

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Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
Page generated by SRI International Pathway Tools version 19.5 on Thu Nov 26, 2015, BIOCYC14B.