Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
twitter

MetaCyc Compound: 3-sulfopyruvate

Synonyms: sulfopyruvate, 3-Sulfopyruvic acid

Superclasses: an organosulfur compound an organosulfonate

Chemical Formula: C3H2O6S

Molecular Weight: 166.1 Daltons

Monoisotopic Molecular Weight: 167.972858551 Daltons

SMILES: C(=O)([O-])C(=O)CS(=O)(=O)[O-]

InChI: InChI=1S/C3H4O6S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H,7,8,9)/p-2

InChIKey: InChIKey=BUTHMSUEBYPMKJ-UHFFFAOYSA-L

Unification Links: ChEBI:57940 , HMDB:HMDB04045 , KEGG:C05528 , MetaboLights:MTBLC57940 , PubChem:25245217

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -186.52603 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

coenzyme M biosynthesis I , coenzyme M biosynthesis II , sulfolactate degradation II :
3-sulfopyruvate + H+ → sulfoacetaldehyde + CO2

Reactions known to produce the compound:

sulfolactate degradation II , sulfolactate degradation III :
(RS)-3-sulfolactate + an oxidized electron acceptor → 3-sulfopyruvate + a reduced electron acceptor

Reactions known to both consume and produce the compound:

(R)-cysteate degradation :
L-cysteate + 2-oxoglutarate ↔ 3-sulfopyruvate + L-glutamate
(2R)-3-sulfolactate + NAD+3-sulfopyruvate + NADH + H+

coenzyme M biosynthesis I :
(2R)-3-sulfolactate + NAD+3-sulfopyruvate + NADH + H+

coenzyme M biosynthesis II , sulfolactate degradation III :
L-cysteate + 2-oxoglutarate ↔ 3-sulfopyruvate + L-glutamate

sulfolactate degradation I :
(2S)-3-sulfolactate + NAD+3-sulfopyruvate + NADH + H+
(2R)-3-sulfolactate + NADP+3-sulfopyruvate + NADPH + H+

Not in pathways:
(2R)-3-sulfolactate + NAD(P)+3-sulfopyruvate + NAD(P)H + H+

Enzymes inhibited by 3-sulfopyruvate, sorted by the type of inhibition, are:

Inhibitor (Competitive) of: 3-phosphonopyruvate hydrolase [Chen06a]


References

Chen06a: Chen CC, Han Y, Niu W, Kulakova AN, Howard A, Quinn JP, Dunaway-Mariano D, Herzberg O (2006). "Structure and kinetics of phosphonopyruvate hydrolase from Variovorax sp. Pal2: new insight into the divergence of catalysis within the PEP mutase/isocitrate lyase superfamily." Biochemistry 45(38);11491-504. PMID: 16981709

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 Mon Dec 22, 2014, biocyc11.