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
twitter

MetaCyc Compound: versiconal hemiacetal acetate

Synonyms: 3-(2-(acetyloxy)ethyl)-2,3-dihydro-2,4,6,8-tetrahydroxyanthra(2,3-b)furan-5,10-dione, 2-[(2S,3S)-2,4,6,8-tetrahydroxy-5,10-dioxo-5,10-dihydroanthra[2,3-b]furan-3-yl]ethyl acetate

Superclasses: a secondary metabolite

Citations: [Wen05]

Chemical Formula: C20H15O9

Molecular Weight: 399.33 Daltons

Monoisotopic Molecular Weight: 400.07943211250006 Daltons

SMILES: CC(=O)OCCC1(C2(C(OC(O)1)=CC3(=C(C(O)=2)C(=O)C4(=C(C(=O)3)C=C([O-])C=C(O)4))))

InChI: InChI=1S/C20H16O9/c1-7(21)28-3-2-9-15-13(29-20(9)27)6-11-16(19(15)26)18(25)14-10(17(11)24)4-8(22)5-12(14)23/h4-6,9,20,22-23,26-27H,2-3H2,1H3/p-1

InChIKey: InChIKey=DYJNRRXQVSJBAA-UHFFFAOYSA-M

Unification Links: ChEBI:71637 , MetaboLights:MTBLC71637 , PubChem:25203253

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -93.21527 Inferred by computational analysis [Latendresse, 2013]

Reactions known to consume the compound:

versicolorin B biosynthesis :
versiconol acetate + NADP+versiconal hemiacetal acetate + NADPH
versiconal hemiacetal acetate + H2O → versiconal + acetate + H+

Reactions known to produce the compound:

versicolorin B biosynthesis :
hydroxyversicolorone + NADPH + H+ + oxygen → versiconal hemiacetal acetate + NADP+ + H2O


References

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

Wen05: Wen Y, Hatabayashi H, Arai H, Kitamoto HK, Yabe K (2005). "Function of the cypX and moxY genes in aflatoxin biosynthesis in Aspergillus parasiticus." Appl Environ Microbiol 71(6);3192-8. PMID: 15933021


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 Sat Nov 22, 2014, BIOCYC14B.