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discounted EARLY registration ends Dec 31, 2014
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discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
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MetaCyc Compound: 27-O-demethyl-25-O-desacetyl-rifamycin S

Synonyms: demethyl-desacetyl-rifamycin S

Superclasses: a secondary metabolite

Citations: [Floss05]

Chemical Formula: C34H41NO11

Molecular Weight: 639.7 Daltons

Monoisotopic Molecular Weight: 639.2679611644 Daltons

SMILES: CC2(C=CC=C(C)C(=O)NC1(C=C(=O)C4(=C(C(=O)=1)C(O)=C(C)C3(OC(OC=CC(O)C(C)C(C(C)C(O)C(C)C(O)2)O)(C)C(=O)C=34))))

InChI: InChI=1S/C34H41NO11/c1-14-9-8-10-15(2)33(44)35-20-13-22(37)23-24(30(20)42)29(41)19(6)31-25(23)32(43)34(7,46-31)45-12-11-21(36)16(3)27(39)18(5)28(40)17(4)26(14)38/h8-14,16-18,21,26-28,36,38-41H,1-7H3,(H,35,44)/b9-8+,12-11+,15-10-/t14-,16+,17+,18-,21-,26-,27+,28+,34-/m0/s1

InChIKey: InChIKey=VCKBLTRSSYIXLX-KATQMFCOSA-N

Unification Links: KEGG:C14724 , PubChem:11954037

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 156.12695 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

rifamycin B biosynthesis :
27-O-demethyl-25-O-desacetyl-rifamycin S + H+ → 27-O-demethyl-25-O-desacetyl-rifamycin SV

Reactions known to produce the compound:

rifamycin B biosynthesis :
rifamycin W hemiacetal → 27-O-demethyl-25-O-desacetyl-rifamycin S


References

Floss05: Floss HG, Yu TW (2005). "Rifamycin-mode of action, resistance, and biosynthesis." Chem Rev 105(2);621-32. PMID: 15700959

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 Wed Dec 17, 2014, biocyc13.