Chemical Formula: C28H44N7O18P3S

Chemical Formula C28H44N7O18P3S

Found 9 metabolite its formula value is C28H44N7O18P3S

6-Hydroxycyclohex-1-ene-1-carboxyl-CoA

4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-N-(2-{[2-(6-hydroxycyclohex-1-ene-1-carbonylsulphanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-3,3-dimethylbutanimidic acid

C28H44N7O18P3S (891.1676)


6-Hydroxycyclohex-1-ene-1-carboxyl-CoA is involved in benzoyl-CoA degradation II path way. Benzoyl-CoA is a common intermediate in the anaerobic bacterial metabolism of many aromatic substrates. Two enzymes and ferredoxin of the central benzoyl-CoA pathway in Thauera aromatica have been purified so far. Benzoyl-CoA reductase reduces the aromatic ring with reduced ferredoxin yielding cyclohexa-1,5-diene-1-carbonyl-CoA [Boll, M. & Fuchs, G. (1995) Eur. J. Biochem. 234, 921-933]. Dienoyl-CoA hydratase subsequently adds one molecule of water and thereby produces 6-hydroxycyclohex-1-ene-1-carbonyl-CoA [Laempe, D., Eisenreich, W., Bacher, A., & Fuchs, G. (1998) Eur. J. Biochem. 255, 618-627]. 6-Hydroxycyclohex-1-ene-1-carbonyl-CoA dehydrogenase is an NAD(+)-specific beta-hydroxyacyl-CoA dehydrogenase that catalyzes 6-hydroxycyclohex-1-ene-1-carbonyl-CoA + NAD(+) --> 6-oxocyclohex-1-ene-1-carbonyl-CoA + NADH + H(+). 6-Oxocyclohex-1-ene-1-carbonyl-CoA hydrolase acts on the beta-oxoacyl-CoA compound and catalyzes the addition of one molecule of water to the double bond and the hydrolytic C-C cleavage of the alicyclic ring, 6-oxocyclohex-1-ene-1-carbonyl-CoA + 2 H(2)O --> 3-hydroxypimelyl-CoA.(PMID: 10406950) [HMDB] 6-Hydroxycyclohex-1-ene-1-carboxyl-CoA is involved in benzoyl-CoA degradation II path way. Benzoyl-CoA is a common intermediate in the anaerobic bacterial metabolism of many aromatic substrates. Two enzymes and ferredoxin of the central benzoyl-CoA pathway in Thauera aromatica have been purified so far. Benzoyl-CoA reductase reduces the aromatic ring with reduced ferredoxin yielding cyclohexa-1,5-diene-1-carbonyl-CoA [Boll, M. & Fuchs, G. (1995) Eur. J. Biochem. 234, 921-933]. Dienoyl-CoA hydratase subsequently adds one molecule of water and thereby produces 6-hydroxycyclohex-1-ene-1-carbonyl-CoA [Laempe, D., Eisenreich, W., Bacher, A., & Fuchs, G. (1998) Eur. J. Biochem. 255, 618-627]. 6-Hydroxycyclohex-1-ene-1-carbonyl-CoA dehydrogenase is an NAD(+)-specific beta-hydroxyacyl-CoA dehydrogenase that catalyzes 6-hydroxycyclohex-1-ene-1-carbonyl-CoA + NAD(+) --> 6-oxocyclohex-1-ene-1-carbonyl-CoA + NADH + H(+). 6-Oxocyclohex-1-ene-1-carbonyl-CoA hydrolase acts on the beta-oxoacyl-CoA compound and catalyzes the addition of one molecule of water to the double bond and the hydrolytic C-C cleavage of the alicyclic ring, 6-oxocyclohex-1-ene-1-carbonyl-CoA + 2 H(2)O --> 3-hydroxypimelyl-CoA.(PMID: 10406950).

   

2-oxocyclohexane-1-carbonyl-CoA

2-Ketocyclohexane-1-carboxyl-CoA; 2-Oxocyclohexane-1-carbonyl-CoA

C28H44N7O18P3S (891.1676)


A 3-oxoacyl-CoA having its S-acyl component derived from 2-oxocyclohexane-1-carboxylic acid.

   

5-Methyl-3-oxo-4-hexenoyl-CoA

(2R)-4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-[2-({2-[(5-methyl-3-oxohex-4-enoyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidic acid

C28H44N7O18P3S (891.1676)


This compound belongs to the family of Acyl CoAs. These are organic compounds contaning a coenzyme A substructure linked to another moeity through an ester bond.

   

CoA 7:2;O

2-Ketocyclohexane-1-carbonyl-CoA;2-ketocyclohexane-1-carbonyl-coenzyme A;2-ketocyclohexanecarbonyl-CoA;2-ketocyclohexanecarboxyl-CoA;2-oxocyclohexane-1-carbonyl-coenzyme A;2-oxocyclohexane-1-carboxyl-CoA;2-oxocyclohexanecarbonyl-CoA;2-oxocyclohexanecarboxyl-CoA;2-oxocyclohexanecarboxyl-coenzyme A

C28H44N7O18P3S (891.1676)


   

S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (5S)-5-hydroxycyclohexene-1-carbothioate

S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (5S)-5-hydroxycyclohexene-1-carbothioate

C28H44N7O18P3S (891.1676)


   

5-Methyl-3-oxo-4-hexenoyl-CoA; (Acyl-CoA); [M+H]+

5-Methyl-3-oxo-4-hexenoyl-CoA; (Acyl-CoA); [M+H]+

C28H44N7O18P3S (891.1676)


   

2-oxocyclohexanecarbonyl-CoA; (Acyl-CoA); [M+H]+

2-oxocyclohexanecarbonyl-CoA; (Acyl-CoA); [M+H]+

C28H44N7O18P3S (891.1676)


   

6-hydroxycyclohex-1-ene-1-carbonyl-CoA

6-hydroxycyclohex-1-ene-1-carbonyl-CoA

C28H44N7O18P3S (891.1676)


The S-(6-hydroxycyclohex-1-ene-1-carbonyl) derivative of coenzyme A.

   

5-Methyl-3-oxo-4-hexenoyl-CoA

5-Methyl-3-oxo-4-hexenoyl-CoA; (Acyl-CoA); [M+H]+

C28H44N7O18P3S (891.1676)