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: neurosporaxanthin

Synonyms: β-apo-4'-carotenoic acid, all-trans-neurosporaxanthin

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

Citations: [Estrada08]

Chemical Formula: C35H45O2

Molecular Weight: 497.74 Daltons

Monoisotopic Molecular Weight: 498.34978072079997 Daltons

SMILES: CC(C=CC=C(C=CC=C(C([O-])=O)C)C)=CC=CC=C(C)C=CC=C(C)C=CC1(C(C)(C)CCCC(C)=1)

InChI: InChI=1S/C35H46O2/c1-27(17-11-19-29(3)21-13-22-32(6)34(36)37)15-9-10-16-28(2)18-12-20-30(4)24-25-33-31(5)23-14-26-35(33,7)8/h9-13,15-22,24-25H,14,23,26H2,1-8H3,(H,36,37)/p-1/b10-9+,17-11+,18-12+,21-13+,25-24+,27-15+,28-16+,29-19+,30-20+,32-22+

InChIKey: InChIKey=UGJYMKZYSUMAKJ-ZGMBEONKSA-M

Unification Links: ChEBI:63069 , KEGG:C08607 , PubChem:50986097

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 587.04834 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

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

Reactions known to produce the compound:

neurosporaxanthin biosynthesis :
apo-4'-lycopenoate → neurosporaxanthin
4'-apo-β-carotenal + NAD+ + H2O → neurosporaxanthin + NADH + 2 H+

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

Credits:
Created 15-Dec-2010 by Pujar A , Boyce Thompson Institute


References

Estrada08: Estrada AF, Maier D, Scherzinger D, Avalos J, Al-Babili S (2008). "Novel apocarotenoid intermediates in Neurospora crassa mutants imply a new biosynthetic reaction sequence leading to neurosporaxanthin formation." Fungal Genet Biol 45(11);1497-505. PMID: 18812228

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, BIOCYC13B.