Exact Mass: 891.1676

Exact Mass Matches: 891.1676

Found 12 metabolites which its exact mass value is equals to given mass value 891.1676, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

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.

   

Gallamine triethiodide

Gallamine triethiodide

C30H60I3N3O3 (891.1769)


D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C66886 - Nicotinic Antagonist D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant Gallamine Triethiodide is a cholinergic receptor inhibitor and non-depolarizing blocker with an IC50 of 68.0±8.4 μM.

   

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)


   

3-oxo-(omega-1)-methyl acyl-CoA(4-)

3-oxo-(omega-1)-methyl acyl-CoA(4-)

C28H44N7O18P3S-4 (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)