Exact Mass: 873.1833

Exact Mass Matches: 873.1833

Found 29 metabolites which its exact mass value is equals to given mass value 873.1833, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Cyclohex-1,5-diene-1-carboxyl-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)-N-(2-{[2-(cyclohexa-1,5-diene-1-carbonylsulphanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-2-hydroxy-3,3-dimethylbutanimidic acid

C28H42N7O17P3S (873.1571)


Cyclohex-1,5-diene-1-carboxyl-CoA is an intermediate in Benzoate degradation via CoA ligation. Biodegradation of aromatic compounds is a common process in anoxic environments. The many natural and synthetic aromatic compounds found in the environment are usually degraded by anaerobic microorganisms into only few central intermediates, prior to ring cleavage. Benzoyl-CoA is the most important of these intermediates since a large number of compounds, including chloro-, nitro-, and aminobenzoates, aromatic hydrocarbons, and phenolic compounds, are initially converted to benzoyl-CoA prior to ring reduction and cleavage. In this pathway, cyclohex-1,5-diene-1-carboxyl-CoA is generated from benzoyl-CoA via the enzyme benzoyl-CoA reductase subunit (EC 1.3.99.15) and is then converted to Cyclohex-1,4-diene-1-carboxyl-CoA. [HMDB] Cyclohex-1,5-diene-1-carboxyl-CoA is an intermediate in Benzoate degradation via CoA ligation. Biodegradation of aromatic compounds is a common process in anoxic environments. The many natural and synthetic aromatic compounds found in the environment are usually degraded by anaerobic microorganisms into only few central intermediates, prior to ring cleavage. Benzoyl-CoA is the most important of these intermediates since a large number of compounds, including chloro-, nitro-, and aminobenzoates, aromatic hydrocarbons, and phenolic compounds, are initially converted to benzoyl-CoA prior to ring reduction and cleavage. In this pathway, cyclohex-1,5-diene-1-carboxyl-CoA is generated from benzoyl-CoA via the enzyme benzoyl-CoA reductase subunit (EC 1.3.99.15) and is then converted to Cyclohex-1,4-diene-1-carboxyl-CoA.

   

Cyclohex-2,5-diene-1-carboxyl-CoA

Cyclohex-2,5-dienecarbonyl-CoA; (Acyl-CoA); [M+H]+;

C28H42N7O17P3S (873.1571)


   

c0214; (Acyl-CoA); [M+H]+;

cyclohexa-1,4-diene-1-carbonyl-CoA

C28H42N7O17P3S (873.1571)


   

Cyanidin 3-(6-feruloylglucoside) 5-(6-malonylglucoside)

5-[(6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-7-hydroxy-3-{[3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

C40H41O22 (873.2089)


Cyanidin 3-(6-feruloylglucoside) 5-(6-malonylglucoside) is found in herbs and spices. Cyanidin 3-(6-feruloylglucoside) 5-(6-malonylglucoside) is isolated from perilla (Perilla frutescens var. crispa).

   

Cyanidin 3-(6-ferulylglucoside)-5-(6-malonylglucoside)

3,5,7,3,4-Pentahydroxyflavylium 3- (6"-ferulylglucoside) -5- (6"-malonylglucoside)

C40H41O22 (873.2089)


   

Petunidin 3-(6-p-coumarylglucoside)-5-(6-malonylglucoside)

Petunidin 3-(6-p-coumarylglucoside)-5-(6-malonylglucoside)

C40H41O22 (873.2089)


   

Cyanidin 3-(6-feruloylglucoside) 5-(6-malonylglucoside)

5-[(6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-7-hydroxy-3-{[3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1$l^{4}-chromen-1-ylium

C40H41O22 (873.2089)


   

CoA 7:3

Cyclohex-2,5-diene-1-carbonyl-CoA;Cyclohex-2,5-diene-1-formyl-CoA;Cyclohex-2,5-dienecarbonyl-CoA;cyclohex-2,5-dienecarboxyl-coenzyme A;cyclohexa-2,5-diene-1-carbonyl-coenzyme A

C28H42N7O17P3S (873.1571)


   

4-Hydroxybenzyl coenzyme A

4-Hydroxybenzyl coenzyme A

C28H42N7O17P3S (873.1571)


   

4-[[(2S)-1-[[6-[(1-Amino-1-oxo-3-sulfanylpropan-2-yl)amino]-6-oxohexyl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-3-[[2-[4-[difluoro(phosphono)methyl]phenyl]acetyl]amino]-4-oxobutanoic acid

4-[[(2S)-1-[[6-[(1-Amino-1-oxo-3-sulfanylpropan-2-yl)amino]-6-oxohexyl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-3-[[2-[4-[difluoro(phosphono)methyl]phenyl]acetyl]amino]-4-oxobutanoic acid

C32H41F4N5O13P2S (873.1833)


   

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] cyclohexa-2,5-diene-1-carbothioate

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] cyclohexa-2,5-diene-1-carbothioate

C28H42N7O17P3S (873.1571)


   

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] cyclohexa-1,4-diene-1-carbothioate

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] cyclohexa-1,4-diene-1-carbothioate

C28H42N7O17P3S (873.1571)


   

cyclohexane-1-carbonyl-CoA(4-)

cyclohexane-1-carbonyl-CoA(4-)

C28H42N7O17P3S-4 (873.1571)


   

[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-[[3-[2-(5-methylhex-4-enoylsulfanyl)ethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate

[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-[[3-[2-(5-methylhex-4-enoylsulfanyl)ethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate

C28H42N7O17P3S-4 (873.1571)


   

(2S,4E)-4-[2-[(2S)-2-carboxy-5-[(2S,3R,4S,5S,6R)-3-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

(2S,4E)-4-[2-[(2S)-2-carboxy-5-[(2S,3R,4S,5S,6R)-3-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

C39H41N2O21+ (873.2202)


   

Cyanidin 3-(6-feruloylglucoside) 5-(6-malonylglucoside)

Cyanidin 3-(6-feruloylglucoside) 5-(6-malonylglucoside)

C40H41O22+ (873.2089)


   

(2S,4E)-4-[2-[(2S)-2-carboxy-5-[(3R,4S,5S,6R)-3-[(3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

(2S,4E)-4-[2-[(2S)-2-carboxy-5-[(3R,4S,5S,6R)-3-[(3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

C39H41N2O21+ (873.2202)


   
   
   
   

c0214; (Acyl-CoA); [M+H]+

c0214; (Acyl-CoA); [M+H]+

C28H42N7O17P3S (873.1571)


   

Cyclohex-2,5-dienecarbonyl-CoA; (Acyl-CoA); [M+H]+

Cyclohex-2,5-dienecarbonyl-CoA; (Acyl-CoA); [M+H]+

C28H42N7O17P3S (873.1571)


   

4-HYDROXYBENZYL COENZYME A; (Acyl-CoA); [M+H]+

4-HYDROXYBENZYL COENZYME A; (Acyl-CoA); [M+H]+

C28H42N7O17P3S (873.1571)


   

cyclohexa-1,5-diene-1-carbonyl-CoA

cyclohexa-1,5-diene-1-carbonyl-CoA

C28H42N7O17P3S (873.1571)


   

cyclohexa-2,5-diene-1-carbonyl-CoA

cyclohexa-2,5-diene-1-carbonyl-CoA

C28H42N7O17P3S (873.1571)


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of cyclohexa-2,5-diene-1-carboxylic acid.

   

cyclohexa-1,4-diene-1-carbonyl-CoA

cyclohexa-1,4-diene-1-carbonyl-CoA

C28H42N7O17P3S (873.1571)


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of cyclohexa-1,4-diene-1-carboxylic acid.

   

cyclohexane-1-carbonyl-CoA(4-)

cyclohexane-1-carbonyl-CoA(4-)

C28H42N7O17P3S (873.1571)


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of cyclohexane-1-carbonyl-CoA; major species at pH 7.3.

   

2-methylhexenoyl-CoA(4-)

2-methylhexenoyl-CoA(4-)

C28H42N7O17P3S (873.1571)


A monounsaturated fatty acyl-CoA(4-) obtained by deprotonation of phosphate and diphosphate functions of 2-methylhexenoyl-CoA; major species at pH 7.3.

   

Petunidin 3-(6'-p-coumarylglucoside)-5-(6'-malonylglucoside)

Petunidin 3-(6'-p-coumarylglucoside)-5-(6'-malonylglucoside)

C40H41O22 (873.2089)