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MetaCyc Compound: petiveriin

Synonyms: S-benzyl-L-cysteine sulfoxide

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

Citations: [Musah09 ]

Chemical Formula: C10H13NO3S

Molecular Weight: 227.28 Daltons

Monoisotopic Molecular Weight: 228.0694390109 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:91820550

Standard Gibbs Free Energy of Formation (ΔfG in kcal/mol): 51.294567Inferred 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 Pathway Tools version 19.5 (software by SRI International) on Sun May 1, 2016, biocyc14.