Exact Mass: 879.1061

Exact Mass Matches: 879.1061

Found 19 metabolites which its exact mass value is equals to given mass value 879.1061, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Itaconyl-CoA

4-{[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-methylidene-4-oxobutanoic acid

C26H40N7O19P3S (879.1312)


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

(3E)-5-[(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]-5-oxopent-3-enoic acid

C26H40N7O19P3S (879.1312)


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]

   

Mesaconyl-CoA

(2E)-4-({2-[(3-{[(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)-1,2-dihydroxy-3,3-dimethylbutylidene]amino}-1-hydroxypropylidene)amino]ethyl}sulfanyl)-3-methyl-4-oxobut-2-enoic acid

C26H40N7O19P3S (879.1312)


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

3-Methylfumaryl-CoA; (E)-3-Carboxybut-2-enoyl-CoA; Mesaconyl-C4-CoA

C26H40N7O19P3S (879.1312)


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.

   

(2E)-Glutaconylcarnitin-CoA

5-({2-[(3-{[4-({[({[5-(6-amino-9H-purin-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}sulphanyl)-5-oxopent-2-enoic acid

C26H40N7O19P3S (879.1312)


   
   

Itaconyl-CoA

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

C26H40N7O19P3S (879.1312)


The S-itaconyl derivative of coenzyme A.

   

CoA 5:2;O2

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

C26H40N7O19P3S (879.1312)


   

(2E)-Glutaconylcarnitin-CoA

(2E)-Glutaconylcarnitin-CoA

C26H40N7O19P3S (879.1312)


   

(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

(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 (879.1256)


   

(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

(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 (879.1256)


   

(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

(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 (879.1256)


   

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

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

C26H40N7O19P3S (879.1312)


   

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

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

C26H40N7O19P3S (879.1312)


   

CID4961355; (Acyl-CoA); [M+H]+

CID4961355; (Acyl-CoA); [M+H]+

C26H40N7O19P3S (879.1312)


   

4-Hydroxy-1,2,5-Oxadiazole-3-Carboxylic Acid-CoA; (Acyl-CoA); [M+H]+

4-Hydroxy-1,2,5-Oxadiazole-3-Carboxylic Acid-CoA; (Acyl-CoA); [M+H]+

C24H36N9O19P3S (879.1061)


   

Mesaconyl-CoA

Mesaconyl-CoA

C26H40N7O19P3S (879.1312)


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

trans-4-carboxybut-2-enoyl-CoA

C26H40N7O19P3S (879.1312)


The S-(trans-4-carboxybut-2-enoyl) derivative of coenzyme A.