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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: 9,15,9'-tri-cis-ζ-carotene

Synonyms: 9,15,9'-cis-ζ-carotene

Superclasses: a lipid an isoprenoid a terpenoid a tetraterpenoid a carotenoid a carotene
a secondary metabolite a terpenoid a tetraterpenoid a carotenoid a carotene

Chemical Formula: C40H60

Molecular Weight: 540.91 Daltons

Monoisotopic Molecular Weight: 540.469501926 Daltons

SMILES: CC(=CCCC(C)=CCCC(C)=CC=CC(=CC=CC=C(C=CC=C(CCC=C(CCC=C(C)C)C)C)C)C)C

InChI: InChI=1S/C40H60/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-16,19-22,25-30H,13-14,17-18,23-24,31-32H2,1-10H3/b12-11-,25-15+,26-16+,35-21+,36-22+,37-27+,38-28+,39-29-,40-30-

InChIKey: InChIKey=BIWLELKAFXRPDE-LMARSQGMSA-N

Unification Links: ChEBI:48717 , KEGG:C19764 , PubChem:24755586

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 872.2872 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

trans-lycopene biosynthesis II (plants) :
9,15,9'-tri-cis-ζ-carotene → 9,9'-di-cis-ζ-carotene

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

Reactions known to produce the compound:

trans-lycopene biosynthesis II (plants) :
15,9'-di-cis-phytofluene + a plastoquinone → 9,15,9'-tri-cis-ζ-carotene + a plastoquinol

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

In Reactions of unknown directionality:

Not in pathways:
15-cis-phytoene + 2 a plastoquinone = 9,15,9'-tri-cis-ζ-carotene + 2 a plastoquinol


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 Mon Nov 24, 2014, biocyc14.