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: petiveriin

Synonyms: S-benzyl-L-cysteine sulfoxide

Superclasses: an organosulfur compound

Citations: [Musah09]

Chemical Formula: C10H13NO3S

Molecular Weight: 227.28 Daltons

Monoisotopic Molecular Weight: 227.0616139788 Daltons

SMILES: C(S(=O)CC([N+])C(=O)[O-])C1(=CC=CC=C1)

InChI: InChI=1S/C10H13NO3S/c11-9(10(12)13)7-15(14)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)

InChIKey: InChIKey=OBQBHBOGTLPNJM-UHFFFAOYSA-N

Unification Links: PubChem:46926327

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 51.294567 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

petivericin biosynthesis :
petiveriin + H2O → phenylmethanesulfenate + ammonium + pyruvate

Credits:
Created 30-Jun-2010 by Pujar A , Boyce Thompson Institute


References

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

Musah09: Musah RA, He Q, Kubec R (2009). "Discovery and characterization of a novel lachrymatory factor synthase in Petiveria alliacea and its influence on alliinase-mediated formation of biologically active organosulfur compounds." Plant Physiol 151(3);1294-303. PMID: 19692535


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, biocyc14.