Exact Mass: 853.1884

Exact Mass Matches: 853.1884

Found 34 metabolites which its exact mass value is equals to given mass value 853.1884, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

(S)-3-Hydroxybutyryl-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-{[(3S)-3-hydroxybutanoyl]sulphanyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}-3,3-dimethylbutanimidic acid

C25H42N7O18P3S (853.152)


(S)-3-Hydroxybutyryl-CoA is classified as a member of the (S)-3-hydroxyacyl CoAs. (S)-3-hydroxyacyl CoAs are organic compounds containing a (S)-3-hydroxyl acylated coenzyme A derivative. (S)-3-Hydroxybutyryl-CoA is considered to be slightly soluble (in water) and acidic

   

3-Hydroxyisobutyryl-CoA

3-hydroxy-2-methylpropanoyl-CoA

C25H42N7O18P3S (853.152)


   

4-Hydroxybutyryl-CoA

4-Hydroxybutanoyl-CoA

C25H42N7O18P3S (853.152)


An acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of 4-hydroxybutyric acid.

   

2-hydroxyisobutyryl-CoA

2-hydroxyisobutanoyl-CoA

C25H42N7O18P3S (853.152)


   

(S)-3-Hydroxyisobutyryl-CoA

{[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-3-{[2-({2-[(3-hydroxy-2-methylpropanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

C25H42N7O18P3S (853.152)


(S)-3-Hydroxyisobutyryl-CoA is s metabolite of 3-hydroxyisobutyryl-CoA hydrolase (EC 3.1.2.4 ) during beta-alanine metabolism (KEGG 00410), propanoate metabolism (KEGG 00640), and valine, leucine and isoleucine degradation (KEGG 00280). Deficiencies of this enzyme in valine degradation can result in hypotonia, poor feeding, motor delay, and subsequent neurological regression in infancy, episodes of ketoacidosis and Leigh-like changes in the basal ganglia on a magnetic resonance imaging scan (PMID 17160907). [HMDB] (S)-3-Hydroxyisobutyryl-CoA is s metabolite of 3-hydroxyisobutyryl-CoA hydrolase (EC 3.1.2.4 ) during beta-alanine metabolism (KEGG 00410), propanoate metabolism (KEGG 00640), and valine, leucine and isoleucine degradation (KEGG 00280). Deficiencies of this enzyme in valine degradation can result in hypotonia, poor feeding, motor delay, and subsequent neurological regression in infancy, episodes of ketoacidosis and Leigh-like changes in the basal ganglia on a magnetic resonance imaging scan (PMID 17160907).

   

3-Hydroxybutyryl-CoA

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(2-{[(3R)-3-hydroxybutanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

C25H42N7O18P3S (853.152)


3-Hydroxybutyryl-CoA is a substrate for Enoyl-CoA hydratase (mitochondrial), Trifunctional enzyme alpha subunit (mitochondrial) and Peroxisomal bifunctional enzyme. [HMDB] 3-Hydroxybutyryl-CoA is a substrate for Enoyl-CoA hydratase (mitochondrial), Trifunctional enzyme alpha subunit (mitochondrial) and Peroxisomal bifunctional enzyme.

   

3-Hydroxybutyryl-coenzyme A

3-Hydroxybutyryl-coenzyme A

C25H42N7O18P3S (853.152)


   

3-O-[3-O-(5-Cytidylyl)-5-cytidylyl]cytidine

3-O-[3-O-(5-Cytidylyl)-5-cytidylyl]cytidine

C27H37N9O19P2 (853.1681)


   

3-Hydroxyisopentyl-CoA

3-Hydroxyisopentyl coenzyme A

C26H46N7O17P3S (853.1884)


   

(S)-3-hydroxybutanoyl-CoA

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(2-{[(3S)-3-hydroxybutanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

C25H42N7O18P3S (853.152)


3-hydroxybutyryl-coa is a member of the class of compounds known as (s)-3-hydroxyacyl coas (s)-3-hydroxyacyl coas are organic compounds containing a (S)-3-hydroxyl acylated coenzyme A derivative. Thus, 3-hydroxybutyryl-coa is considered to be a fatty ester lipid molecule. 3-hydroxybutyryl-coa is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 3-hydroxybutyryl-coa can be found in a number of food items such as agar, garland chrysanthemum, kelp, and oval-leaf huckleberry, which makes 3-hydroxybutyryl-coa a potential biomarker for the consumption of these food products. 3-hydroxybutyryl-coa may be a unique E.coli metabolite. 3-Hydroxybutyryl-CoA, also known as L-3-hydroxybutanoyl-CoA, belongs to the class of organic compounds known as (s)-3-hydroxyacyl coas. These are organic compounds containing a (S)-3-hydroxyl acylated coenzyme A derivative. Thus, 3-hydroxybutyryl-CoA is considered to be a fatty ester lipid molecule. 3-Hydroxybutyryl-CoA is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.

   

3-hydroxybutanoyl CoA

(S)-3-hydroxybutanoyl-CoA

C25H42N7O18P3S (853.152)


   

CoA 4:0;O

(S)-3-hydroxy-2-methylpropanoyl-coenzyme A;(S)-3-hydroxy-2-methylpropionyl-coenzyme A;(S)-3-hydroxyisobutanoyl-CoA;(S)-3-hydroxyisobutanoyl-coenzyme A;(S)-3-hydroxyisobutyryl-coenzyme A

C25H42N7O18P3S (853.152)


   

3-hydroxy-3-methylbutyl-CoA

3-phosphoadenosine 5-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-3-methylbutyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]dihydrogen diphosphate}

C26H46N7O17P3S (853.1884)


   

2-hydroxybutanoyl-CoA

2-hydroxybutanoyl-CoA

C25H42N7O18P3S (853.152)


   

2-Carboxypropyl-coenzyme a

2-Carboxypropyl-coenzyme a

C25H42N7O18P3S (853.152)


   

4-Hydroxybutyryl-CoA; (Acyl-CoA); [M+H]+

4-Hydroxybutyryl-CoA; (Acyl-CoA); [M+H]+

C25H42N7O18P3S (853.152)


   

(R)-2-hydroxybutanoyl-CoA

(R)-2-hydroxybutanoyl-CoA

C25H42N7O18P3S (853.152)


A hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (R)-2-hydroxybutanoic acid

   

S-[2-[3-[[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] 3-hydroxybutanethioate

S-[2-[3-[[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] 3-hydroxybutanethioate

C25H42N7O18P3S (853.152)


   

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] (2R)-3-hydroxy-2-methylpropanethioate

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] (2R)-3-hydroxy-2-methylpropanethioate

C25H42N7O18P3S (853.152)


   

3-Carboxypropyl-coenzyme A

3-Carboxypropyl-coenzyme A

C25H42N7O18P3S (853.152)


   

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-3-({2-[(2-{[(3R)-3-hydroxybutanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-3-({2-[(2-{[(3R)-3-hydroxybutanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

C25H42N7O18P3S (853.152)


   

CID445337; (Acyl-CoA); [M+H]+

CID445337; (Acyl-CoA); [M+H]+

C25H42N7O18P3S (853.152)


   

2-carboxypropyl-coenzyme a; (Acyl-CoA); [M+H]+

2-carboxypropyl-coenzyme a; (Acyl-CoA); [M+H]+

C25H42N7O18P3S (853.152)


   

CID4469810; (Acyl-CoA); [M+H]+

CID4469810; (Acyl-CoA); [M+H]+

C25H42N7O18P3S (853.152)


   

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

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

C24H42N9O17P3S (853.1632)


   

(R)-3-hydroxybutanoyl-CoA

(R)-3-hydroxybutanoyl-CoA

C25H42N7O18P3S (853.152)


The (R)-enantiomer of 3-hydroxybutanoyl-CoA.

   

3-hydroxy-2-methylpropanoyl-CoA

3-hydroxy-2-methylpropanoyl-CoA

C25H42N7O18P3S (853.152)


   

(S)-3-hydroxybutanoyl-CoA

(S)-3-hydroxybutanoyl-CoA

C25H42N7O18P3S (853.152)


   

(S)-3-hydroxyisobutyryl-CoA

(S)-3-hydroxyisobutyryl-CoA

C25H42N7O18P3S (853.152)


A hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (S)-3-hydroxyisobutyric acid.

   

2-hydroxyisobutanoyl-CoA

2-hydroxyisobutanoyl-CoA

C25H42N7O18P3S (853.152)


A hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxyisobutanoic acid.

   

3-hydroxybutanoyl-CoA

3-hydroxybutanoyl-CoA

C25H42N7O18P3S (853.152)


A hydroxybutanoyl-CoA having 3-hydroxybutanoyl as the S-acyl component.

   
   
   

Hydroxyisobutyryl-CoA

Hydroxyisobutyryl-CoA

C25H42N7O18P3S (853.152)