Exact Mass: 879.131248
Exact Mass Matches: 879.131248
Found 37 metabolites which its exact mass value is equals to given mass value 879.131248,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Itaconyl-CoA
Itaconyl-CoA is an intermediate metabolite in the degradation pathway of itaconic acid, an unsaturated dicarbonic organic acid. Citramalyl coenzyme A (CoA) is found to be the intermediate in the conversion of itaconyl-Co-A to acetyl-CoA and pyruvate, catalyzed by methylglutaconase. Methylglutaconase catalyzes the interconversion of itaconyl-, mesaconyl-, and citramalyl-CoA. In liver mitochondria, methylglutaconase converts itaconate to pyruvate and acetyl coenzyme A. In this metabolic process, itaconate is first activated to itaconyl-CoA by a succinate activating enzyme, and a CoA derivative is cleaved to acetyl-CoA and pyruvate. (PMID: 13783048, 11548996) [HMDB]. Itaconyl-CoA is found in many foods, some of which are red algae, barley, garden rhubarb, and chestnut. Itaconyl-CoA is an intermediate metabolite in the degradation pathway of itaconic acid, an unsaturated dicarbonic organic acid. Citramalyl coenzyme A (CoA) is found to be the intermediate in the conversion of itaconyl-Co-A to acetyl-CoA and pyruvate, catalyzed by methylglutaconase. Methylglutaconase catalyzes the interconversion of itaconyl-, mesaconyl-, and citramalyl-CoA. In liver mitochondria, methylglutaconase converts itaconate to pyruvate and acetyl coenzyme A. In this metabolic process, itaconate is first activated to itaconyl-CoA by a succinate activating enzyme, and a CoA derivative is cleaved to acetyl-CoA and pyruvate. (PMID: 13783048, 11548996).
Glutaconyl-CoA
Glutaconyl-CoA (CAS: 6712-05-6), also known as 4-carboxybut-2-enoyl-CoA, belongs to the class of organic compounds known as 2-enoyl CoAs. These are organic compounds containing a coenzyme A substructure linked to a 2-enoyl chain. Thus, glutaconyl-CoA is considered to be a fatty ester lipid molecule. Glutaconyl-CoA is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Glutaconyl-CoA is a substrate for glutaryl-CoA dehydrogenase. Glutaconyl-CoA is a substrate for Glutaryl-CoA dehydrogenase (mitochondrial). [HMDB]
3-Oxohexanoyl-CoA
3-Oxohexanoyl-CoA is an intermediate in Fatty acid elongation in mitochondria. 3-Oxohexanoyl-CoA is the 3rd to last step in the synthesis of Hexanoyl-CoA and is converted from Butanoyl-CoA via the enzyme acetyl-CoA acyltransferase 2 (EC 2.3.1.16). It is then converted to (S)-Hydroxyhexanoyl-CoA via the 3-hydroxyacyl-CoA dehydrogenase (EC 1.1.1.35). [HMDB]. 3-Oxohexanoyl-CoA is found in many foods, some of which are soy bean, cloudberry, other bread, and lemon thyme. 3-Oxohexanoyl-CoA is an intermediate in Fatty acid elongation in mitochondria. 3-Oxohexanoyl-CoA is the 3rd to last step in the synthesis of Hexanoyl-CoA and is converted from Butanoyl-CoA via the enzyme acetyl-CoA acyltransferase 2 (EC 2.3.1.16). It is then converted to (S)-Hydroxyhexanoyl-CoA via the 3-hydroxyacyl-CoA dehydrogenase (EC 1.1.1.35).
Mesaconyl-CoA
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-methylfumaryl-CoA
An omega-carboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the least hindered carboxy group of mesaconic acid.
3-Oxo-4-methyl-pentanoyl-CoA
This compound belongs to the family of 3-Oxo-acyl CoAs. These are organic compounds containing a 3-oxo acylated coenzyme A derivative.
3-oxo-hexanoyl-CoA
3-oxo-hexanoyl-CoA is classified as a member of the 3-oxo-acyl CoAs. 3-oxo-acyl CoAs are organic compounds containing a 3-oxo acylated coenzyme A derivative. 3-oxo-hexanoyl-CoA is considered to be slightly soluble (in water) and acidic. 3-oxo-hexanoyl-CoA is a fatty ester lipid molecule
(2E)-Glutaconylcarnitin-CoA
(4E)-3-hydroxyhex-4-enoyl-CoA
(4e)-3-hydroxyhex-4-enoyl-coa is an acyl-CoA or acyl-coenzyme A. More specifically, it is a (4E)-3-hydroxyhex-4-enoic acid thioester of coenzyme A. (4e)-3-hydroxyhex-4-enoyl-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. (4e)-3-hydroxyhex-4-enoyl-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. (4e)-3-hydroxyhex-4-enoyl-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, (4E)-3-hydroxyhex-4-enoyl-CoA is transported into the mitochondria, the locus of beta oxidation. Transport of (4E)-3-hydroxyhex-4-enoyl-CoA into the mitochondria requires carnitine palmitoyltransferase 1 (CPT1), which converts (4E)-3-hydroxyhex-4-enoyl-CoA into (4E)-3-hydroxyhex-4-enoylcarnitine, which gets transported into the mitochondrial matrix. Once in the matrix, (4E)-3-hydroxyhex-4-enoylcarnitine is converted back to (4E)-3-hydroxyhex-4-enoyl-CoA by CPT2, whereupon beta-oxidation can begin. Beta oxidation of (4E)-3-hydroxyhex-4-enoyl-CoA occurs in four steps. First, since (4E)-3-hydroxyhex-4-enoyl-CoA is a medium chain acyl-CoA it is the substrate for a medium chain acyl-CoA dehydrogenase, which catalyzes dehydrogenation of (4E)-3-hydroxyhex-4-enoyl-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 ne...
5-oxohexanoyl-CoA
5-oxohexanoyl-coa is an acyl-CoA or acyl-coenzyme A. More specifically, it is a 5-oxohexanoic acid thioester of coenzyme A. 5-oxohexanoyl-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. 5-oxohexanoyl-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-oxohexanoyl-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-oxohexanoyl-CoA is transported into the mitochondria, the locus of beta oxidation. Transport of 5-oxohexanoyl-CoA into the mitochondria requires carnitine palmitoyltransferase 1 (CPT1), which converts 5-oxohexanoyl-CoA into 5-oxohexanoylcarnitine, which gets transported into the mitochondrial matrix. Once in the matrix, 5-oxohexanoylcarnitine is converted back to 5-oxohexanoyl-CoA by CPT2, whereupon beta-oxidation can begin. Beta oxidation of 5-oxohexanoyl-CoA occurs in four steps. First, since 5-oxohexanoyl-CoA is a medium chain acyl-CoA it is the substrate for a medium chain acyl-CoA dehydrogenase, which catalyzes dehydrogenation of 5-oxohexanoyl-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 NADH is produced from NAD+. Finally, Thiola...
CoA 6:1;O
Itaconyl-CoA
The S-itaconyl derivative of coenzyme A.
CoA 5:2;O2
anhydromevalonyl-CoA
A hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of anhydromevalonic acid.
(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2S,3S,4R,5R,6R)-6-[(2S,3R,4R,5R)-2,5-bis(hydroxymethyl)-4-sulfooxyoxolan-3-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
C26H41NO28S2 (879.1256466000001)
(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2S,3S,4R,5R,6R)-6-[(2S,3R,4R,5R)-2,5-bis(hydroxymethyl)-4-sulfooxyoxolan-3-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
C26H41NO28S2 (879.1256466000001)
(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2S,3S,4R,5R,6R)-2-carboxy-4,5-dihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxyoxan-3-yl]oxy-4-hydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-5-sulfooxyoxane-2-carboxylic acid
C26H41NO28S2 (879.1256466000001)
5-{[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}-5-oxopent-3-enoic acid
2-Oxo-4-Methylpentanoic Acid-CoA; (Acyl-CoA); [M+H]+
4-Hydroxy-1,2,5-Oxadiazole-3-Carboxylic Acid-CoA; (Acyl-CoA); [M+H]+
3-Oxohexanoyl-CoA
An oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of 3-oxohexanoic acid.
Mesaconyl-CoA
An omega-carboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the 1-carboxy group of mesaconic acid.
trans-4-carboxybut-2-enoyl-CoA
The S-(trans-4-carboxybut-2-enoyl) derivative of coenzyme A.
6-hydroxyhex-3-enoyl-CoA
A hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 6-hydroxyhex-3-enoic acid.