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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

albaflavenone compound structure

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
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