Metabolic Modeling Tutorial
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Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
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MetaCyc Compound: all-trans-4,4'-diapo-ζ-carotene

Synonyms: 7,8,7',8'-tetrahydro-4,4'-diapocarotene

Superclasses: a lipid an isoprenoid a terpenoid a triterpenoid
a secondary metabolite a terpenoid a triterpenoid

Chemical Formula: C30H44

Molecular Weight: 404.68 Daltons

Monoisotopic Molecular Weight: 404.3443014124 Daltons

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

InChI: InChI=1S/C30H44/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,13-18,21-24H,11-12,19-20H2,1-8H3/b10-9+,21-13+,22-14+,27-17+,28-18+,29-23+,30-24+

InChIKey: InChIKey=JJMKRPXUHIPSAW-ZOKJSSERSA-N

Unification Links: ChEBI:62742 , ChemSpider:9490659 , KEGG:C19841 , PubChem:11315692

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 651.7693 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

4,4'-diapolycopenedioate biosynthesis , staphyloxanthin biosynthesis :
all-trans-4,4'-diapo-ζ-carotene + FAD + H+all-trans-4,4'-diaponeurosporene + FADH2

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

Reactions known to produce the compound:

4,4'-diapolycopenedioate biosynthesis , staphyloxanthin biosynthesis :
all-trans-4,4'-diapophytofluene + FAD + H+all-trans-4,4'-diapo-ζ-carotene + FADH2

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 Sun Dec 21, 2014, biocyc13.