Exact Mass: 867.1789

Exact Mass Matches: 867.1789

Found 54 metabolites which its exact mass value is equals to given mass value 867.1789, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Methylmalonyl-CoA

(2S)-3-{[2-(3-{3-[({[({[(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)methyl]-2-hydroxy-3-methylbutanamido}propanamido)ethyl]sulfanyl}-2-methyl-3-oxopropanoic acid

C25H40N7O19P3S (867.1312)


Methylmalonyl-CoA is an intermediate in the metabolism of Propanoate. It is a substrate for Malonyl-CoA decarboxylase (mitochondrial), Methylmalonyl-CoA mutase (mitochondrial) and Methylmalonyl-CoA epimerase (mitochondrial). [HMDB] Methylmalonyl-CoA is an intermediate in the metabolism of Propanoate. It is a substrate for Malonyl-CoA decarboxylase (mitochondrial), Methylmalonyl-CoA mutase (mitochondrial) and Methylmalonyl-CoA epimerase (mitochondrial).

   

Succinyl-CoA

4-[(2-{3-[(2R)-3-[({[({[(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)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-4-oxobutanoic acid

C25H40N7O19P3S (867.1312)


Succinyl-CoA is an important intermediate in the citric acid cycle, where it is synthesized from α-Ketoglutarate by α-ketoglutarate dehydrogenase (EC 1.2.4.2) through decarboxylation, and is converted into succinate through the hydrolytic release of coenzyme A by succinyl-CoA synthetase (EC 6.2.1.5). Succinyl-CoA may be an end product of peroxisomal beta-oxidation of dicarboxylic fatty acids; the identification of an apparently specific succinyl-CoA thioesterase (ACOT4, EC 3.1.2.3, hydrolyzes succinyl-CoA) in peroxisomes strongly suggests that succinyl-CoA is formed in peroxisomes. Acyl-CoA thioesterases (ACOTs) are a family of enzymes that catalyze the hydrolysis of the CoA esters of various lipids to the free acids and coenzyme A, thereby regulating levels of these compounds. (PMID: 16141203) [HMDB]. Succinyl-CoA is found in many foods, some of which are fruits, sea-buckthornberry, pomegranate, and sweet orange. Succinyl-CoA is an important intermediate in the citric acid cycle, where it is synthesized from α-Ketoglutarate by α-ketoglutarate dehydrogenase (EC 1.2.4.2) through decarboxylation, and is converted into succinate through the hydrolytic release of coenzyme A by succinyl-CoA synthetase (EC 6.2.1.5). Succinyl-CoA may be an end product of peroxisomal beta-oxidation of dicarboxylic fatty acids; the identification of an apparently specific succinyl-CoA thioesterase (ACOT4, EC 3.1.2.3, hydrolyzes succinyl-CoA) in peroxisomes strongly suggests that succinyl-CoA is formed in peroxisomes. Acyl-CoA thioesterases (ACOTs) are a family of enzymes that catalyze the hydrolysis of the CoA esters of various lipids to the free acids and coenzyme A, thereby regulating levels of these compounds. (PMID: 16141203).

   

5-hydroxypentanoyl-CoA

5-hydroxypentanoyl-CoA

C26H44N7O18P3S (867.1676)


An acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of 5-hydroxypentanoic acid.

   

2-Methyl-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-{[(2S,3S)-3-hydroxy-2-methylbutanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

C26H44N7O18P3S (867.1676)


2-Methyl-3-hydroxybutyryl-CoA (CAS: 6701-38-8) belongs to the class of organic compounds known as (S)-3-hydroxyacyl-CoAs. These are organic compounds containing an (S)-3-hydroxyl acylated coenzyme A derivative. Thus, 2-methyl-3-hydroxybutyryl-CoA is considered to be a fatty ester lipid molecule. 2-Methyl-3-hydroxybutyryl-CoA is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 2-Methyl-3-hydroxybutyryl-CoA is a substrate for 3-hydroxyacyl-CoA dehydrogenase type II, enoyl-CoA hydratase, trifunctional enzyme alpha subunit, short-chain 3-hydroxyacyl-CoA dehydrogenase, and peroxisomal bifunctional enzyme. 2-Methyl-3-hydroxybutyryl-CoA is a substrate for 3-hydroxyacyl-CoA dehydrogenase type II, Enoyl-CoA hydratase (mitochondrial), Trifunctional enzyme alpha subunit (mitochondrial), Short chain 3-hydroxyacyl-CoA dehydrogenase (mitochondrial) and Peroxisomal bifunctional enzyme. [HMDB]. 2-Methyl-3-hydroxybutyryl-CoA is found in many foods, some of which are malus (crab apple), sweet potato, white cabbage, and agave.

   

3-Hydroxyisovaleryl-CoA

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

C26H44N7O18P3S (867.1676)


3-Hydroxyisovaleryl-CoA is an end product of leucine degradation. It is converted from 3-methylbut-2-enoyl-CoA by the enzyme enoyl-CoA hydratase. [HMDB] 3-Hydroxyisovaleryl-CoA is an end product of leucine degradation. It is converted from 3-methylbut-2-enoyl-CoA by the enzyme enoyl-CoA hydratase.

   

R-Methylmalonyl-CoA

(2R)-3-[(2-{3-[(2R)-3-[({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-2-methyl-3-oxopropanoic acid

C25H40N7O19P3S (867.1312)


Methylmalonyl-CoA is an intermediate in the metabolism of Propanoate. It is a substrate for Malonyl-CoA decarboxylase (mitochondrial), Methylmalonyl-CoA mutase (mitochondrial) and Methylmalonyl-CoA epimerase (mitochondrial). [HMDB] Methylmalonyl-CoA is an intermediate in the metabolism of Propanoate. It is a substrate for Malonyl-CoA decarboxylase (mitochondrial), Methylmalonyl-CoA mutase (mitochondrial) and Methylmalonyl-CoA epimerase (mitochondrial).

   

CoA 4:1;O2

5-O-[hydroxy({hydroxy[(15-hydroxy-16,16-dimethyl-3,5,10,14-tetraoxo-2-oxa-6-thia-9,13-diazaheptadecan-17-yl)oxy]phosphoryl}oxy)phosphoryl]adenosine 3-(dihydrogen phosphate);malonyl-coenzyme A methyl ester

C25H40N7O19P3S (867.1312)


The (R)-enantiomer of methylmalonyl-CoA.

   

Methylmalonyl-CoA

Methylmalonyl-CoA

C25H40N7O19P3S (867.1312)


A member of the class of malonyl-CoAs that is malonyl-CoA carrying a methyl group on the malony side chain.

   

malonyl-CoA methyl ester

malonyl-CoA methyl ester

C25H40N7O19P3S (867.1312)


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of malonic acid monomethyl ester.

   

S-Methylmalonyl-CoA

(2S)-3-[(2-{3-[(2R)-3-[({[({[(3S,4R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-2-methyl-3-oxopropanoic acid

C25H40N7O19P3S (867.1312)


Methylmalonyl-CoA is an intermediate in the metabolism of Propanoate. It is a substrate for Malonyl-CoA decarboxylase (mitochondrial), Methylmalonyl-CoA mutase (mitochondrial) and Methylmalonyl-CoA epimerase (mitochondrial). [HMDB] Methylmalonyl-CoA is an intermediate in the metabolism of Propanoate. It is a substrate for Malonyl-CoA decarboxylase (mitochondrial), Methylmalonyl-CoA mutase (mitochondrial) and Methylmalonyl-CoA epimerase (mitochondrial).

   

Methylmalonyl-coenzyme A

3-{[2-(3-{3-[({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido}propanamido)ethyl]sulfanyl}-2-methyl-3-oxopropanoic acid

C25H40N7O19P3S (867.1312)


   

(2S,3R)-3-Hydroxy-2-methylbutanoyl-CoA

4-({[({[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-[(3-hydroxy-2-methylbutanoyl)sulphanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]-3,3-dimethylbutanimidic acid

C26H44N7O18P3S (867.1676)


(2s,3r)-3-hydroxy-2-methylbutanoyl-coa is an acyl-CoA or acyl-coenzyme A. More specifically, it is a (2S_3R)-3-hydroxy-2-methylbutanoic acid thioester of coenzyme A. (2s,3r)-3-hydroxy-2-methylbutanoyl-coa is an acyl-CoA with 4 fatty acid group as the acyl moiety attached to coenzyme A. Coenzyme A was discovered in 1946 by Fritz Lipmann (Journal of Biological Chemistry (1946) 162 (3): 743–744) and its structure was determined in the early 1950s at the Lister Institute in London. Coenzyme A is a complex, thiol-containing molecule that is naturally synthesized from pantothenate (vitamin B5), which is found in various foods such as meat, vegetables, cereal grains, legumes, eggs, and milk. More specifically, coenzyme A (CoASH or CoA) consists of a beta-mercaptoethylamine group linked to the vitamin pantothenic acid (B5) through an amide linkage and 3-phosphorylated ADP. Coenzyme A is synthesized in a five-step process that requires four molecules of ATP, pantothenate and cysteine. It is believed that there are more than 1100 types of acyl-CoA’s in the human body, which also corresponds to the number of acylcarnitines in the human body. Acyl-CoAs exists in all living species, ranging from bacteria to plants to humans. The general role of acyl-CoA’s is to assist in transferring fatty acids from the cytoplasm to mitochondria. This process facilitates the production of fatty acids in cells, which are essential in cell membrane structure. Acyl-CoAs are also susceptible to beta oxidation, forming, ultimately, acetyl-CoA. Acetyl-CoA can enter the citric acid cycle, eventually forming several equivalents of ATP. In this way, fats are converted to ATP -- or biochemical energy. Acyl-CoAs can be classified into 9 different categories depending on the size of their acyl-group: 1) short-chain acyl-CoAs; 2) medium-chain acyl-CoAs; 3) long-chain acyl-CoAs; and 4) very long-chain acyl-CoAs; 5) hydroxy acyl-CoAs; 6) branched chain acyl-CoAs; 7) unsaturated acyl-CoAs; 8) dicarboxylic acyl-CoAs and 9) miscellaneous acyl-CoAs. Short-chain acyl-CoAs have acyl-groups with two to four carbons (C2-C4), medium-chain acyl-CoAs have acyl-groups with five to eleven carbons (C5-C11), long-chain acyl-CoAs have acyl-groups with twelve to twenty carbons (C12-C20) while very long-chain acyl-CoAs have acyl groups with more than 20 carbons. (2s,3r)-3-hydroxy-2-methylbutanoyl-coa is therefore classified as a short chain acyl-CoA. The oxidative degradation of fatty acids is a two-step process, catalyzed by acyl-CoA synthetase/synthase. Fatty acids are first converted to their acyl phosphate, the precursor to acyl-CoA. The latter conversion is mediated by acyl-CoA synthase. Three types of acyl-CoA synthases are employed, depending on the chain length of the fatty acid. (2s,3r)-3-hydroxy-2-methylbutanoyl-coa, being a short chain acyl-CoA is a substrate for short chain acyl-CoA synthase. The second step of fatty acid degradation is beta oxidation. Beta oxidation occurs in mitochondria and, in the case of very long chain acyl-CoAs, the peroxisome. After its formation in the cytosol, (2S,3R)-3-Hydroxy-2-methylbutanoyl-CoA is transported into the mitochondria, the locus of beta oxidation. Transport of (2S,3R)-3-Hydroxy-2-methylbutanoyl-CoA into the mitochondria requires carnitine palmitoyltransferase 1 (CPT1), which converts (2S,3R)-3-Hydroxy-2-methylbutanoyl-CoA into (2S_3R)-3-Hydroxy-2-methylbutanoylcarnitine, which gets transported into the mitochondrial matrix. Once in the matrix, (2S_3R)-3-Hydroxy-2-methylbutanoylcarnitine is converted back to (2S,3R)-3-Hydroxy-2-methylbutanoyl-CoA by CPT2, whereupon beta-oxidation can begin. Beta oxidation of (2S,3R)-3-Hydroxy-2-methylbutanoyl-CoA occurs in four steps. First, since (2S,3R)-3-Hydroxy-2-methylbutanoyl-CoA is a short chain acyl-CoA it is the substrate for a short chain acyl-CoA dehydrogenase, which catalyzes dehydrogenation of (2S,3R)-3-Hydroxy-2-methylbutanoyl-CoA, creating a double bond between the alpha and beta carbo...

   

4-Hydroxyvaleryl-CoA

4-({[({[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-[(4-hydroxypentanoyl)sulphanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]-3,3-dimethylbutanimidic acid

C26H44N7O18P3S (867.1676)


4-hydroxyvaleryl-coa is an acyl-CoA or acyl-coenzyme A. More specifically, it is a 4-hydroxypentanoic acid thioester of coenzyme A. 4-hydroxyvaleryl-coa is an acyl-CoA with 5 fatty acid group as the acyl moiety attached to coenzyme A. Coenzyme A was discovered in 1946 by Fritz Lipmann (Journal of Biological Chemistry (1946) 162 (3): 743–744) and its structure was determined in the early 1950s at the Lister Institute in London. Coenzyme A is a complex, thiol-containing molecule that is naturally synthesized from pantothenate (vitamin B5), which is found in various foods such as meat, vegetables, cereal grains, legumes, eggs, and milk. More specifically, coenzyme A (CoASH or CoA) consists of a beta-mercaptoethylamine group linked to the vitamin pantothenic acid (B5) through an amide linkage and 3-phosphorylated ADP. Coenzyme A is synthesized in a five-step process that requires four molecules of ATP, pantothenate and cysteine. It is believed that there are more than 1100 types of acyl-CoA’s in the human body, which also corresponds to the number of acylcarnitines in the human body. Acyl-CoAs exists in all living species, ranging from bacteria to plants to humans. The general role of acyl-CoA’s is to assist in transferring fatty acids from the cytoplasm to mitochondria. This process facilitates the production of fatty acids in cells, which are essential in cell membrane structure. Acyl-CoAs are also susceptible to beta oxidation, forming, ultimately, acetyl-CoA. Acetyl-CoA can enter the citric acid cycle, eventually forming several equivalents of ATP. In this way, fats are converted to ATP -- or biochemical energy. Acyl-CoAs can be classified into 9 different categories depending on the size of their acyl-group: 1) short-chain acyl-CoAs; 2) medium-chain acyl-CoAs; 3) long-chain acyl-CoAs; and 4) very long-chain acyl-CoAs; 5) hydroxy acyl-CoAs; 6) branched chain acyl-CoAs; 7) unsaturated acyl-CoAs; 8) dicarboxylic acyl-CoAs and 9) miscellaneous acyl-CoAs. Short-chain acyl-CoAs have acyl-groups with two to four carbons (C2-C4), medium-chain acyl-CoAs have acyl-groups with five to eleven carbons (C5-C11), long-chain acyl-CoAs have acyl-groups with twelve to twenty carbons (C12-C20) while very long-chain acyl-CoAs have acyl groups with more than 20 carbons. 4-hydroxyvaleryl-coa is therefore classified as a medium chain acyl-CoA. The oxidative degradation of fatty acids is a two-step process, catalyzed by acyl-CoA synthetase/synthase. Fatty acids are first converted to their acyl phosphate, the precursor to acyl-CoA. The latter conversion is mediated by acyl-CoA synthase. Three types of acyl-CoA synthases are employed, depending on the chain length of the fatty acid. 4-hydroxyvaleryl-coa, being a medium chain acyl-CoA is a substrate for medium chain acyl-CoA synthase. The second step of fatty acid degradation is beta oxidation. Beta oxidation occurs in mitochondria and, in the case of very long chain acyl-CoAs, the peroxisome. After its formation in the cytosol, 4-Hydroxyvaleryl-CoA is transported into the mitochondria, the locus of beta oxidation. Transport of 4-Hydroxyvaleryl-CoA into the mitochondria requires carnitine palmitoyltransferase 1 (CPT1), which converts 4-Hydroxyvaleryl-CoA into 4-Hydroxyvalerylcarnitine, which gets transported into the mitochondrial matrix. Once in the matrix, 4-Hydroxyvalerylcarnitine is converted back to 4-Hydroxyvaleryl-CoA by CPT2, whereupon beta-oxidation can begin. Beta oxidation of 4-Hydroxyvaleryl-CoA occurs in four steps. First, since 4-Hydroxyvaleryl-CoA is a medium chain acyl-CoA it is the substrate for a medium chain acyl-CoA dehydrogenase, which catalyzes dehydrogenation of 4-Hydroxyvaleryl-CoA, creating a double bond between the alpha and beta carbons. FAD is the hydrogen acceptor, yielding FADH2. Second, Enoyl-CoA hydrase catalyzes the addition of water across the newly formed double bond to make an alcohol. Third, 3-hydroxyacyl-CoA dehydrogenase oxidizes the alcohol group to a ketone and...

   

3-Hydroxyvaleryl-CoA

4-({[({[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-[(3-hydroxypentanoyl)sulphanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]-3,3-dimethylbutanimidic acid

C26H44N7O18P3S (867.1676)


3-hydroxyvaleryl-coa is an acyl-CoA or acyl-coenzyme A. More specifically, it is a 3-hydroxypentanoic acid thioester of coenzyme A. 3-hydroxyvaleryl-coa is an acyl-CoA with 5 fatty acid group as the acyl moiety attached to coenzyme A. Coenzyme A was discovered in 1946 by Fritz Lipmann (Journal of Biological Chemistry (1946) 162 (3): 743–744) and its structure was determined in the early 1950s at the Lister Institute in London. Coenzyme A is a complex, thiol-containing molecule that is naturally synthesized from pantothenate (vitamin B5), which is found in various foods such as meat, vegetables, cereal grains, legumes, eggs, and milk. More specifically, coenzyme A (CoASH or CoA) consists of a beta-mercaptoethylamine group linked to the vitamin pantothenic acid (B5) through an amide linkage and 3-phosphorylated ADP. Coenzyme A is synthesized in a five-step process that requires four molecules of ATP, pantothenate and cysteine. It is believed that there are more than 1100 types of acyl-CoA’s in the human body, which also corresponds to the number of acylcarnitines in the human body. Acyl-CoAs exists in all living species, ranging from bacteria to plants to humans. The general role of acyl-CoA’s is to assist in transferring fatty acids from the cytoplasm to mitochondria. This process facilitates the production of fatty acids in cells, which are essential in cell membrane structure. Acyl-CoAs are also susceptible to beta oxidation, forming, ultimately, acetyl-CoA. Acetyl-CoA can enter the citric acid cycle, eventually forming several equivalents of ATP. In this way, fats are converted to ATP -- or biochemical energy. Acyl-CoAs can be classified into 9 different categories depending on the size of their acyl-group: 1) short-chain acyl-CoAs; 2) medium-chain acyl-CoAs; 3) long-chain acyl-CoAs; and 4) very long-chain acyl-CoAs; 5) hydroxy acyl-CoAs; 6) branched chain acyl-CoAs; 7) unsaturated acyl-CoAs; 8) dicarboxylic acyl-CoAs and 9) miscellaneous acyl-CoAs. Short-chain acyl-CoAs have acyl-groups with two to four carbons (C2-C4), medium-chain acyl-CoAs have acyl-groups with five to eleven carbons (C5-C11), long-chain acyl-CoAs have acyl-groups with twelve to twenty carbons (C12-C20) while very long-chain acyl-CoAs have acyl groups with more than 20 carbons. 3-hydroxyvaleryl-coa is therefore classified as a medium chain acyl-CoA. The oxidative degradation of fatty acids is a two-step process, catalyzed by acyl-CoA synthetase/synthase. Fatty acids are first converted to their acyl phosphate, the precursor to acyl-CoA. The latter conversion is mediated by acyl-CoA synthase. Three types of acyl-CoA synthases are employed, depending on the chain length of the fatty acid. 3-hydroxyvaleryl-coa, being a medium chain acyl-CoA is a substrate for medium chain acyl-CoA synthase. The second step of fatty acid degradation is beta oxidation. Beta oxidation occurs in mitochondria and, in the case of very long chain acyl-CoAs, the peroxisome. After its formation in the cytosol, 3-Hydroxyvaleryl-CoA is transported into the mitochondria, the locus of beta oxidation. Transport of 3-Hydroxyvaleryl-CoA into the mitochondria requires carnitine palmitoyltransferase 1 (CPT1), which converts 3-Hydroxyvaleryl-CoA into 3-Hydroxyvalerylcarnitine, which gets transported into the mitochondrial matrix. Once in the matrix, 3-Hydroxyvalerylcarnitine is converted back to 3-Hydroxyvaleryl-CoA by CPT2, whereupon beta-oxidation can begin. Beta oxidation of 3-Hydroxyvaleryl-CoA occurs in four steps. First, since 3-Hydroxyvaleryl-CoA is a medium chain acyl-CoA it is the substrate for a medium chain acyl-CoA dehydrogenase, which catalyzes dehydrogenation of 3-Hydroxyvaleryl-CoA, creating a double bond between the alpha and beta carbons. FAD is the hydrogen acceptor, yielding FADH2. Second, Enoyl-CoA hydrase catalyzes the addition of water across the newly formed double bond to make an alcohol. Third, 3-hydroxyacyl-CoA dehydrogenase oxidizes the alcohol group to a ketone and...

   

5-hydroxypentanoyl-CoA

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

C26H44N7O18P3S (867.1676)


5-hydroxypentanoyl-coa is an acyl-CoA or acyl-coenzyme A. More specifically, it is a 5-hydroxypentanoic acid thioester of coenzyme A. 5-hydroxypentanoyl-coa is an acyl-CoA with 5 fatty acid group as the acyl moiety attached to coenzyme A. Coenzyme A was discovered in 1946 by Fritz Lipmann (Journal of Biological Chemistry (1946) 162 (3): 743–744) and its structure was determined in the early 1950s at the Lister Institute in London. Coenzyme A is a complex, thiol-containing molecule that is naturally synthesized from pantothenate (vitamin B5), which is found in various foods such as meat, vegetables, cereal grains, legumes, eggs, and milk. More specifically, coenzyme A (CoASH or CoA) consists of a beta-mercaptoethylamine group linked to the vitamin pantothenic acid (B5) through an amide linkage and 3-phosphorylated ADP. Coenzyme A is synthesized in a five-step process that requires four molecules of ATP, pantothenate and cysteine. It is believed that there are more than 1100 types of acyl-CoA’s in the human body, which also corresponds to the number of acylcarnitines in the human body. Acyl-CoAs exists in all living species, ranging from bacteria to plants to humans. The general role of acyl-CoA’s is to assist in transferring fatty acids from the cytoplasm to mitochondria. This process facilitates the production of fatty acids in cells, which are essential in cell membrane structure. Acyl-CoAs are also susceptible to beta oxidation, forming, ultimately, acetyl-CoA. Acetyl-CoA can enter the citric acid cycle, eventually forming several equivalents of ATP. In this way, fats are converted to ATP -- or biochemical energy. Acyl-CoAs can be classified into 9 different categories depending on the size of their acyl-group: 1) short-chain acyl-CoAs; 2) medium-chain acyl-CoAs; 3) long-chain acyl-CoAs; and 4) very long-chain acyl-CoAs; 5) hydroxy acyl-CoAs; 6) branched chain acyl-CoAs; 7) unsaturated acyl-CoAs; 8) dicarboxylic acyl-CoAs and 9) miscellaneous acyl-CoAs. Short-chain acyl-CoAs have acyl-groups with two to four carbons (C2-C4), medium-chain acyl-CoAs have acyl-groups with five to eleven carbons (C5-C11), long-chain acyl-CoAs have acyl-groups with twelve to twenty carbons (C12-C20) while very long-chain acyl-CoAs have acyl groups with more than 20 carbons. 5-hydroxypentanoyl-coa is therefore classified as a medium chain acyl-CoA. The oxidative degradation of fatty acids is a two-step process, catalyzed by acyl-CoA synthetase/synthase. Fatty acids are first converted to their acyl phosphate, the precursor to acyl-CoA. The latter conversion is mediated by acyl-CoA synthase. Three types of acyl-CoA synthases are employed, depending on the chain length of the fatty acid. 5-hydroxypentanoyl-coa, being a medium chain acyl-CoA is a substrate for medium chain acyl-CoA synthase. The second step of fatty acid degradation is beta oxidation. Beta oxidation occurs in mitochondria and, in the case of very long chain acyl-CoAs, the peroxisome. After its formation in the cytosol, 5-hydroxypentanoyl-CoA is transported into the mitochondria, the locus of beta oxidation. Transport of 5-hydroxypentanoyl-CoA into the mitochondria requires carnitine palmitoyltransferase 1 (CPT1), which converts 5-hydroxypentanoyl-CoA into 5-hydroxypentanoylcarnitine, which gets transported into the mitochondrial matrix. Once in the matrix, 5-hydroxypentanoylcarnitine is converted back to 5-hydroxypentanoyl-CoA by CPT2, whereupon beta-oxidation can begin. Beta oxidation of 5-hydroxypentanoyl-CoA occurs in four steps. First, since 5-hydroxypentanoyl-CoA is a medium chain acyl-CoA it is the substrate for a medium chain acyl-CoA dehydrogenase, which catalyzes dehydrogenation of 5-hydroxypentanoyl-CoA, creating a double bond between the alpha and beta carbons. FAD is the hydrogen acceptor, yielding FADH2. Second, Enoyl-CoA hydrase catalyzes the addition of water across the newly formed double bond to make an alcohol. Third, 3-hydroxyacyl-CoA dehydrogenase oxidizes the alc...

   

Coenzyme A, S-(3-hydroxypentanoate)

Coenzyme A, S-(3-hydroxypentanoate)

C26H44N7O18P3S (867.1676)


   

5-hydroxypentanoyl-CoA

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] 5-hydroxypentanethioate

C26H44N7O18P3S (867.1676)


5-hydroxypentanoyl-CoA is an acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of 5-hydroxypentanoic acid. It is functionally related to a pentanoyl-CoA and a 5-hydroxypentanoic acid. It is a conjugate acid of a 5-hydroxypentanoyl-CoA(4-). 5-Hydroxypentanoyl-coenzyme A is a thioester compound that plays a crucial role in various metabolic pathways, particularly in the biosynthesis of certain natural products and in the metabolism of fatty acids. It is formed by the condensation of 5-hydroxypentanoic acid with coenzyme A (CoA), which is a carrier molecule involved in the transfer of acyl groups. Chemically, 5-hydroxypentanoyl-CoA consists of a 5-hydroxypentanoyl group, which is a five-carbon acyl chain with a hydroxyl group attached to the fifth carbon, and the CoA moiety. The CoA part of the molecule includes a pantothenic acid (vitamin B5) derivative, a pyrophosphate group, and an adenine nucleotide. The acyl group is attached to the thiol (-SH) group of the CoA via a thioester linkage, which is a high-energy bond. In biological systems, 5-hydroxypentanoyl-CoA is an intermediate in the biosynthesis of polyketides, a large class of natural products that include many pharmaceuticals and other bioactive compounds. It can also be involved in the metabolism of fatty acids, where it may be converted into other compounds or used as a substrate for energy production. The presence of the hydroxyl group in the acyl chain of 5-hydroxypentanoyl-CoA confers specific chemical properties and reactivity to the molecule, making it a versatile building block in various biochemical pathways. Its role in these pathways highlights the importance of understanding its synthesis, metabolism, and regulation in biological systems.

   

Succinyl-CoA

Coenzyme A, S-(hydrogen butanedioate);S-(3-Carboxy-propionyl)-coenzym-A;S-(3-carboxy-propionyl)-CoA;S-(3-carboxypropionyl)-coenzyme-A;S-(Hydrogen succinyl)coenzyme A;S-(hydrogen succinyl)-CoA;Succinyl-coenzyme A;succinyl-CoA

C25H40N7O19P3S (867.1312)


An omega-carboxyacyl-CoA having succinoyl as the S-acyl component.

   

Olcegepant

Olcegepant

C38H47Br2N9O5 (867.2067)


D002491 - Central Nervous System Agents > D000700 - Analgesics > D000077221 - Calcitonin Gene-Related Peptide Receptor Antagonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System

   

Aluminum flufenamate

Aluminum flufenamate

C42H27AlF9N3O6 (867.1571)


C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic

   

Coenzyme A, S-(hydrogen methylpropanedioate)

Coenzyme A, S-(hydrogen methylpropanedioate)

C25H40N7O19P3S (867.1312)


   

PubChem CID: 25246155; (Acyl-CoA); [M+H]+

PubChem CID: 25246155; (Acyl-CoA); [M+H]+

C26H44N7O18P3S (867.1676)


   

Adenosine 3-phosphoric acid 5-[diphosphoric acid P2-[(R)-2,2-dimethyl-3-hydroxy-3-[[2-[[2-(3-methoxy-3-oxopropionylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester

Adenosine 3-phosphoric acid 5-[diphosphoric acid P2-[(R)-2,2-dimethyl-3-hydroxy-3-[[2-[[2-(3-methoxy-3-oxopropionylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester

C25H40N7O19P3S (867.1312)


   

N,N,N-trimethylglycyl-CoA

N,N,N-trimethylglycyl-CoA

C26H46N8O17P3S+ (867.1914)


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of glycine betaine.

   

(R)-3-hydroxyvaleryl-CoA

(R)-3-hydroxyvaleryl-CoA

C26H44N7O18P3S (867.1676)


   

(S)-3-hydroxypentanoyl-CoA

(S)-3-hydroxypentanoyl-CoA

C26H44N7O18P3S (867.1676)


   

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] 4-hydroxypentanethioate

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] 4-hydroxypentanethioate

C26H44N7O18P3S (867.1676)


   

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] 3-hydroxypentanethioate

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] 3-hydroxypentanethioate

C26H44N7O18P3S (867.1676)


   

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] 4-hydroxy-3-oxobutanethioate

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] 4-hydroxy-3-oxobutanethioate

C25H40N7O19P3S (867.1312)


   
   

Methyl 3-[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]ethylsulfanyl]-3-oxopropanoate

Methyl 3-[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]ethylsulfanyl]-3-oxopropanoate

C25H40N7O19P3S (867.1312)


   

2-Methyl-3-hydroxybutyryl-CoA

2-Methyl-3-hydroxybutyryl-CoA

C26H44N7O18P3S (867.1676)


   
   

2-hydroxyisovaleryl-CoA

2-hydroxyisovaleryl-CoA

C26H44N7O18P3S (867.1676)


   

Gal3S(b1-4)GalNAc(b1-4)Gal3S(b1-4)b-Glc

Gal3S(b1-4)GalNAc(b1-4)Gal3S(b1-4)b-Glc

C26H45NO27S2 (867.162)


   

Gal3S(b1-3)GalNAc(b1-4)Gal3S(b1-4)b-Glc

Gal3S(b1-3)GalNAc(b1-4)Gal3S(b1-4)b-Glc

C26H45NO27S2 (867.162)


   

3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-3-O-sulfo-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose

3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-3-O-sulfo-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose

C26H45NO27S2 (867.162)


   

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

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

C25H40N7O19P3S (867.1312)


   

5-Hydroxypentanoyl-CoA; (Acyl-CoA); [M+H]+

5-Hydroxypentanoyl-CoA; (Acyl-CoA); [M+H]+

C26H44N7O18P3S (867.1676)


   

CID10748187; (Acyl-CoA); [M+H]+

CID10748187; (Acyl-CoA); [M+H]+

C25H40N7O19P3S (867.1312)


   

Trimethyl Glycine-CoA; (Acyl-CoA); [M+H]+

Trimethyl Glycine-CoA; (Acyl-CoA); [M+H]+

C26H46N8O17P3S+ (867.1914)


   

Delta-Amino Valeric Acid-CoA; (Acyl-CoA); [M+H]+

Delta-Amino Valeric Acid-CoA; (Acyl-CoA); [M+H]+

C26H46N8O17P3S+ (867.1914)


   

2,4-Diaminobutyric Acid-CoA; (Acyl-CoA); [M+H]+

2,4-Diaminobutyric Acid-CoA; (Acyl-CoA); [M+H]+

C25H44N9O17P3S (867.1789)


   
   

(2S,3S)-3-hydroxy-2-methylbutanoyl-CoA

(2S,3S)-3-hydroxy-2-methylbutanoyl-CoA

C26H44N7O18P3S (867.1676)


An (S)-3-hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2S,3S)-3-hydroxy-2-methylbutanoic acid.

   

(S)-methylmalonyl-CoA

(S)-methylmalonyl-CoA

C25H40N7O19P3S (867.1312)


The (S)-enantiomer of methylmalonyl-CoA.

   

3-hydroxyisovaleryl-CoA

3-hydroxyisovaleryl-CoA

C26H44N7O18P3S (867.1676)


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

   
   
   
   

Methylhydroxybutyryl-CoA

Methylhydroxybutyryl-CoA

C26H44N7O18P3S (867.1676)


   

4-({2-[(3-{[(2r)-4-[({[(2s,3r,4s,5s)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-1,2-dihydroxy-3,3-dimethylbutylidene]amino}-1-hydroxypropylidene)amino]ethyl}sulfanyl)-4-oxobutanoic acid

4-({2-[(3-{[(2r)-4-[({[(2s,3r,4s,5s)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-1,2-dihydroxy-3,3-dimethylbutylidene]amino}-1-hydroxypropylidene)amino]ethyl}sulfanyl)-4-oxobutanoic acid

C25H40N7O19P3S (867.1312)


   

4-({2-[(3-{[(2r)-4-[({[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-1,2-dihydroxy-3,3-dimethylbutylidene]amino}-1-hydroxypropylidene)amino]ethyl}sulfanyl)-4-oxobutanoic acid

4-({2-[(3-{[(2r)-4-[({[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-1,2-dihydroxy-3,3-dimethylbutylidene]amino}-1-hydroxypropylidene)amino]ethyl}sulfanyl)-4-oxobutanoic acid

C25H40N7O19P3S (867.1312)


   

3-({2-[(3-{[(2r)-4-[({[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-1,2-dihydroxy-3,3-dimethylbutylidene]amino}-1-hydroxypropylidene)amino]ethyl}sulfanyl)-2-methyl-3-oxopropanoic acid

3-({2-[(3-{[(2r)-4-[({[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-1,2-dihydroxy-3,3-dimethylbutylidene]amino}-1-hydroxypropylidene)amino]ethyl}sulfanyl)-2-methyl-3-oxopropanoic acid

C25H40N7O19P3S (867.1312)