Exact Mass: 881.1832806000001
Exact Mass Matches: 881.1832806000001
Found 35 metabolites which its exact mass value is equals to given mass value 881.1832806000001,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Glutaryl-CoA
C26H42N7O19P3S (881.1468972000001)
Glutaryl-CoA is a substrate for 2-oxoglutarate dehydrogenase E1 component (mitochondrial), Dihydrolipoyllysine-residue succinyltransferase component of 2- oxoglutarate dehydrogenase complex (mitochondrial) and Glutaryl-CoA dehydrogenase (mitochondrial). [HMDB] Glutaryl-CoA is a substrate for 2-oxoglutarate dehydrogenase E1 component (mitochondrial), Dihydrolipoyllysine-residue succinyltransferase component of 2- oxoglutarate dehydrogenase complex (mitochondrial) and Glutaryl-CoA dehydrogenase (mitochondrial).
(S)-Hydroxyhexanoyl-CoA
C27H46N7O18P3S (881.1832806000001)
(s)-3-hydroxyhexanoyl-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, (s)-3-hydroxyhexanoyl-coa is considered to be a fatty ester lipid molecule (s)-3-hydroxyhexanoyl-coa is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). (s)-3-hydroxyhexanoyl-coa can be found in a number of food items such as common grape, yam, grass pea, and roman camomile, which makes (s)-3-hydroxyhexanoyl-coa a potential biomarker for the consumption of these food products. (S)-Hydroxyhexanoyl-CoA is an intermediate in fatty acid metabolism, being the substrate of the enzymes beta-hydroxyacyl-CoA dehydrogenase (EC 1.1.1.211) and 3-hydroxyacyl-CoA dehydrogenase (EC 1.1.1.35). (S)-Hydroxyhexanoyl-CoA is also an intermediate in fatty acid elongation in mitochondria, the substrate of the enzymes enoyl-CoA hydratase (EC 4.2.1.17) and long-chain-enoyl-CoA hydratase (EC 4.2.1.74) (KEGG).
(S)-ethylmalonyl-CoA
C26H42N7O19P3S (881.1468972000001)
(s)-ethylmalonyl-coa is a substrate for: Ethylmalonyl-CoA decarboxylase.
(R)-2-hydroxy-4-methylpentanoyl-CoA
C27H46N7O18P3S (881.1832806000001)
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-hydroxy-4-methylpentanoic acid.
(2R)-Ethylmalonyl-CoA
C26H42N7O19P3S (881.1468972000001)
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.
3(S)-Hydroxy-4-methyl-pentanoyl-CoA
C27H46N7O18P3S (881.1832806000001)
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.
3S-hydroxy-hexanoyl-CoA
C27H46N7O18P3S (881.1832806000001)
3S-hydroxy-hexanoyl-CoA is classified as a member of the 3-hydroxyacyl CoAs. 3-hydroxyacyl CoAs are organic compounds containing a 3-hydroxyl acylated coenzyme A derivative. 3S-hydroxy-hexanoyl-CoA is considered to be slightly soluble (in water) and acidic. 3S-hydroxy-hexanoyl-CoA is a fatty ester lipid molecule
4-Hydroxyhexanoy-CoA
C27H46N7O18P3S (881.1832806000001)
4-hydroxyhexanoy-coa is an acyl-CoA or acyl-coenzyme A. More specifically, it is a 4-hydroxyhexanoic acid thioester of coenzyme A. 4-hydroxyhexanoy-coa is an acyl-CoA with 6 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-hydroxyhexanoy-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-hydroxyhexanoy-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-Hydroxyhexanoy-CoA is transported into the mitochondria, the locus of beta oxidation. Transport of 4-Hydroxyhexanoy-CoA into the mitochondria requires carnitine palmitoyltransferase 1 (CPT1), which converts 4-Hydroxyhexanoy-CoA into 4-Hydroxyhexanoycarnitine, which gets transported into the mitochondrial matrix. Once in the matrix, 4-Hydroxyhexanoycarnitine is converted back to 4-Hydroxyhexanoy-CoA by CPT2, whereupon beta-oxidation can begin. Beta oxidation of 4-Hydroxyhexanoy-CoA occurs in four steps. First, since 4-Hydroxyhexanoy-CoA is a medium chain acyl-CoA it is the substrate for a medium chain acyl-CoA dehydrogenase, which catalyzes dehydrogenation of 4-Hydroxyhexanoy-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 ...
(5R)-5-hydroxyhexanoyl-CoA
C27H46N7O18P3S (881.1832806000001)
(5r)-5-hydroxyhexanoyl-coa is an acyl-CoA or acyl-coenzyme A. More specifically, it is a (5R)-5-hydroxyhexanoic acid thioester of coenzyme A. (5r)-5-hydroxyhexanoyl-coa is an acyl-CoA with 6 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. (5r)-5-hydroxyhexanoyl-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. (5r)-5-hydroxyhexanoyl-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, (5R)-5-hydroxyhexanoyl-CoA is transported into the mitochondria, the locus of beta oxidation. Transport of (5R)-5-hydroxyhexanoyl-CoA into the mitochondria requires carnitine palmitoyltransferase 1 (CPT1), which converts (5R)-5-hydroxyhexanoyl-CoA into (5R)-5-hydroxyhexanoylcarnitine, which gets transported into the mitochondrial matrix. Once in the matrix, (5R)-5-hydroxyhexanoylcarnitine is converted back to (5R)-5-hydroxyhexanoyl-CoA by CPT2, whereupon beta-oxidation can begin. Beta oxidation of (5R)-5-hydroxyhexanoyl-CoA occurs in four steps. First, since (5R)-5-hydroxyhexanoyl-CoA is a medium chain acyl-CoA it is the substrate for a medium chain acyl-CoA dehydrogenase, which catalyzes dehydrogenation of (5R)-5-hydroxyhexanoyl-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....
2-ethylpropanedioyl-CoA
C26H42N7O19P3S (881.1468972000001)
2-ethylpropanedioyl-coa is an acyl-CoA or acyl-coenzyme A. More specifically, it is a 2-ethylpropanedioic acid thioester of coenzyme A. 2-ethylpropanedioyl-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. 2-ethylpropanedioyl-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. 2-ethylpropanedioyl-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, 2-ethylpropanedioyl-CoA is transported into the mitochondria, the locus of beta oxidation. Transport of 2-ethylpropanedioyl-CoA into the mitochondria requires carnitine palmitoyltransferase 1 (CPT1), which converts 2-ethylpropanedioyl-CoA into 2-ethylpropanedioylcarnitine, which gets transported into the mitochondrial matrix. Once in the matrix, 2-ethylpropanedioylcarnitine is converted back to 2-ethylpropanedioyl-CoA by CPT2, whereupon beta-oxidation can begin. Beta oxidation of 2-ethylpropanedioyl-CoA occurs in four steps. First, since 2-ethylpropanedioyl-CoA is a medium chain acyl-CoA it is the substrate for a medium chain acyl-CoA dehydrogenase, which catalyzes dehydrogenation of 2-ethylpropanedioyl-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 ox...
CoA 5:1;O2
C26H42N7O19P3S (881.1468972000001)
CoA 6:0;O
C27H46N7O18P3S (881.1832806000001)
Glutaryl-CoA
C26H42N7O19P3S (881.1468972000001)
An omega-carboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of glutaric acid.
(R)-3-hydroxyhexanoyl-coenzyme A
C27H46N7O18P3S (881.1832806000001)
(2R)-2-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]pentanedioic acid
C28H45N5O23P2 (881.1980480000001)
L-Asparagine-CoA; (Acyl-CoA); [M+H]+
C25H42N9O18P3S (881.1581302000001)
N-Carbamoyl-Alanine-CoA; (Acyl-CoA); [M+H]+
C25H42N9O18P3S (881.1581302000001)
(S)-3-hydroxyhexanoyl-CoA
C27H46N7O18P3S (881.1832806000001)
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-hydroxyhexanoyl-CoA.
(S)-ethylmalonyl-CoA
C26H42N7O19P3S (881.1468972000001)
An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of (2S)-ethylmalonic acid.
(2S)-Methylsuccinyl-CoA
C26H42N7O19P3S (881.1468972000001)
An acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the 1-carboxy group of (2S)-methylsuccinic acid.
(R)-ethylmalonyl-CoA
C26H42N7O19P3S (881.1468972000001)
An omega-carboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of (R)-ethylmalonic acid.
(R)-3-hydroxyhexanoyl-CoA
C27H46N7O18P3S (881.1832806000001)
A 3-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (R)-3-hydroxyhexanoic acid.
2-[({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)carbonyl]butanoic acid
C26H42N7O19P3S (881.1468972000001)
2-{[(2-{[3-({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]carbonyl}butanoic acid
C26H42N7O19P3S (881.1468972000001)