MetaCyc Compound: sterigmatocystin

Chemical Formula: C18H12O6

Molecular Weight: 324.29 Daltons

Monoisotopic Molecular Weight: 324.0633881178 Daltons

sterigmatocystin compound structure

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


Unification Links: CAS:10048-13-2 , ChEBI:18227 , ChemSpider:4447522 , HMDB:HMDB30588 , KEGG:C00961 , MetaboLights:MTBLC18227 , NCI:204985 , PubChem:5280389

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+


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

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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 19.0 on Sun Oct 4, 2015, biocyc13.