Pathway Tools
Intro Tutorial
discounted registration ends Sept 5, 2015
Pathway Tools
Intro Tutorial
discounted registration ends Sept 5, 2015
Pathway Tools
Intro Tutorial
discounted registration ends Sept 5, 2015
Pathway Tools
Intro Tutorial
discounted registration ends Sept 5, 2015
Pathway Tools
Intro Tutorial
discounted registration ends Sept 5, 2015
twitter

MetaCyc Compound: petiveriin

Synonyms: S-benzyl-L-cysteine sulfoxide

Superclasses: an organosulfur compound an S-alkyl-L-cysteine S-oxide

Citations: [Musah09]

Chemical Formula: C10H13NO3S

Molecular Weight: 227.28 Daltons

Monoisotopic Molecular Weight: 227.0616139788 Daltons

petiveriin compound structure

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)/t9-,15?/m0/s1

InChIKey: InChIKey=OBQBHBOGTLPNJM-HJULIUOESA-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:

(Z)-phenylmethanethial S-oxide biosynthesis :
petiveriin → phenylmethanesulfenate + 2-aminoprop-2-enoate + H+

In Reactions of unknown directionality:

Not in pathways:
an S-alkyl-L-cysteine S-oxide = an S-alkylsulfenate + 2-aminoprop-2-enoate + H+

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 19.0 on Fri Aug 28, 2015, biocyc14.