Metabolic Modeling Tutorial
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Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
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MetaCyc Compound: 11-cis-retinyl palmitate

Superclasses: a lipid an isoprenoid a terpenoid a diterpenoid a retinoid a retinyl ester an 11-cis-retinyl ester
a secondary metabolite a terpenoid a diterpenoid a retinoid a retinyl ester an 11-cis-retinyl ester
an ester a retinyl ester an 11-cis-retinyl ester

Chemical Formula: C36H60O2

Molecular Weight: 524.87 Daltons

Monoisotopic Molecular Weight: 524.4593311702 Daltons

SMILES: CCCCCCCCCCCCCCCC(OCC=C(C=CC=C(C=CC1(C(CCCC=1C)(C)C))C)C)=O

InChI: InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20-,27-26+,31-22+,32-28-

InChIKey: InChIKey=VYGQUTWHTHXGQB-YEXJKBCSSA-N

Unification Links: ChEBI:729 , ChemSpider:4444209 , KEGG:C03455 , PubChem:5280596

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 648.99725 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

Not in pathways:
11-cis-retinyl palmitate + H2O → palmitate + 11-cis-retinol + H+


an 11-cis-retinyl ester + H2O → 11-cis-retinol + a fatty acid

linoleate biosynthesis I (plants) :
oleoyl-CoA + a lipid + H+ → a lipid oleoyl-group + coenzyme A

Reactions known to produce the compound:

Not in pathways:
an 11-cis retinol-[cellular-retinol-binding-protein] + a phosphatidylcholine → a cellular-retinol-binding protein + an 11-cis-retinyl ester + a 1-lysophosphatidylcholine

glutathione redox reactions I :
a lipid hydroperoxide + 2 glutathione + H+a lipid + glutathione disulfide + 2 H2O


References

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


Report Errors or Provide Feedback
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 18.5 on Thu Dec 18, 2014, biocyc12.