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: sterigmatocystin

Chemical Formula: C18H12O6

Molecular Weight: 324.29 Daltons

Monoisotopic Molecular Weight: 324.0633881178 Daltons

SMILES: COC5(C=C2(C([CH]1([CH](OC=C1)O2))=C4(OC3(C(=C(C=CC=3)O)C(=O)C4=5))))

InChI: InChI=1S/C18H12O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-8,18-19H,1H3/t8-,18+/m0/s1

InChIKey: InChIKey=UTSVPXMQSFGQTM-DCXZOGHSSA-N

Unification Links: CAS:10048-13-2 , ChEBI:9262 , ChemSpider:4447522 , HMDB:HMDB30588 , KEGG:C00961 , MetaboLights:MTBLC18227 , NCI:204985 , PubChem:5284457

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 14.293445 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

aflatoxins B1 and G1 biosynthesis :
sterigmatocystin + S-adenosyl-L-methionine → 8-O-methylsterigmatocystin + S-adenosyl-L-homocysteine + H+

Reactions known to produce the compound:

sterigmatocystin biosynthesis :
6-demethylsterigmatocystin + S-adenosyl-L-methionine → S-adenosyl-L-homocysteine + sterigmatocystin + H+


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 Nov 23, 2014, BIOCYC13B.