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
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
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MetaCyc Compound: albaflavenone

Superclasses: a secondary metabolite a xenobiotic an antibiotic

Citations: [Zhao08]

Chemical Formula: C15H22O

Molecular Weight: 218.34 Daltons

Monoisotopic Molecular Weight: 218.1670653283 Daltons

SMILES: CC1(C23(C(C(=O)C1)=C(C)C(C)(C)C(C2)CC3))

InChI: InChI=1S/C15H22O/c1-9-7-12(16)13-10(2)14(3,4)11-5-6-15(9,13)8-11/h9,11H,5-8H2,1-4H3/t9-,11-,15+/m0/s1

InChIKey: InChIKey=SHUZZAXJEJPUGA-CCUNJIBTSA-N

Unification Links: ChEBI:51460 , KEGG:C17954 , MetaboLights:MTBLC51460 , PubChem:25137938

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 217.38464 Inferred by computational analysis [Latendresse13]

Reactions known to produce the compound:

albaflavenone biosynthesis :
(5S)-albaflavenol + NADPH + oxygen + H+albaflavenone + NADP+ + 2 H2O
(5R)-albaflavenol + NADPH + oxygen + H+albaflavenone + NADP+ + 2 H2O

Not in pathways:
(+)-epi-isozizaene + 2 NADPH + 2 H+ + 2 oxygen → albaflavenone + 2 NADP+ + 3 H2O

In Transport reactions:
a xenobiotic[cytosol] + ATP + H2O ↔ a xenobiotic[extracellular space] + ADP + phosphate


References

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

Zhao08: Zhao B, Lin X, Lei L, Lamb DC, Kelly SL, Waterman MR, Cane DE (2008). "Biosynthesis of the Sesquiterpene Antibiotic Albaflavenone in Streptomyces coelicolor A3(2)." J Biol Chem 283(13);8183-9. PMID: 18234666


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 Nov 23, 2014, BIOCYC14B.