Exact Mass: 861.145

Exact Mass Matches: 861.145

Found 26 metabolites which its exact mass value is equals to given mass value 861.145, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

2-Furoyl-CoA

2-Furoyl-CoA

C26H38N7O18P3S (861.1207)


An acyl-CoA having 2-furoyl as the S-acyl group.

   

beta-ketovaleryl-CoA

4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-[2-({2-[(3-oxopentanoyl)sulphanyl]ethyl}carboximidato)ethyl]butanecarboximidic acid

C26H38N7O18P3S (861.1207)


beta-ketovaleryl-coa is a member of the class of compounds known as 3-oxo-acyl coas. 3-oxo-acyl coas are organic compounds containing a 3-oxo acylated coenzyme A derivative. beta-ketovaleryl-coa is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). beta-ketovaleryl-coa can be found in a number of food items such as gooseberry, olive, cucurbita (gourd), and red raspberry, which makes beta-ketovaleryl-coa a potential biomarker for the consumption of these food products.

   

(Methylenecyclopropyl)acetyl-CoA

(Methylenecyclopropyl)acetyl-CoA

C27H42N7O17P3S (861.1571)


   
   

Methylenecyclopropyl acetyl-coa

Methylenecyclopropyl acetyl-coa

C27H42N7O17P3S (861.1571)


   

beta-ketovaleryl-CoA

4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-[2-({2-[(3-oxopentanoyl)sulphanyl]ethyl}carboximidato)ethyl]butanecarboximidic acid

C26H38N7O18P3S (861.1207)


beta-ketovaleryl-coa is a member of the class of compounds known as 3-oxo-acyl coas. 3-oxo-acyl coas are organic compounds containing a 3-oxo acylated coenzyme A derivative. beta-ketovaleryl-coa is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). beta-ketovaleryl-coa can be found in a number of food items such as gooseberry, olive, cucurbita (gourd), and red raspberry, which makes beta-ketovaleryl-coa a potential biomarker for the consumption of these food products. β-ketovaleryl-coa is a member of the class of compounds known as 3-oxo-acyl coas. 3-oxo-acyl coas are organic compounds containing a 3-oxo acylated coenzyme A derivative. β-ketovaleryl-coa is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). β-ketovaleryl-coa can be found in a number of food items such as gooseberry, olive, cucurbita (gourd), and red raspberry, which makes β-ketovaleryl-coa a potential biomarker for the consumption of these food products.

   

[5-(6-Aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxopentanoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate

[5-(6-Aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxopentanoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate

C26H38N7O18P3S-4 (861.1207)


   

2-methylacetoacetyl-CoA(4-)

2-methylacetoacetyl-CoA(4-)

C26H38N7O18P3S-4 (861.1207)


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trans,trans-2,4-hexadienoyl-CoA

trans,trans-2,4-hexadienoyl-CoA

C27H42N7O17P3S (861.1571)


A trans,trans-2,3,4,5-tetradehydroacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans,trans-2,4-hexadienoic acid.

   
   
   
   
   
   

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] 2-(2-methylidenecyclopropyl)ethanethioate

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] 2-(2-methylidenecyclopropyl)ethanethioate

C27H42N7O17P3S (861.1571)


   

(1S)-(Methylenecyclopropyl)acetyl-CoA

(1S)-(Methylenecyclopropyl)acetyl-CoA

C27H42N7O17P3S (861.1571)


   

(1R)-(Methylenecyclopropyl)acetyl-CoA

(1R)-(Methylenecyclopropyl)acetyl-CoA

C27H42N7O17P3S (861.1571)


   

Methylenecyclopropyl acetyl-CoA; (Acyl-CoA); [M+H]+

Methylenecyclopropyl acetyl-CoA; (Acyl-CoA); [M+H]+

C27H42N7O17P3S (861.1571)


   

2-Furoyl-CoA; (Acyl-CoA); [M+H]+

2-Furoyl-CoA; (Acyl-CoA); [M+H]+

C26H38N7O18P3S (861.1207)


   

CID10350645; (Acyl-CoA); [M+H]+

CID10350645; (Acyl-CoA); [M+H]+

C27H42N7O17P3S (861.1571)


   

2-methylacetoacetyl-CoA(4-)

2-methylacetoacetyl-CoA(4-)

C26H38N7O18P3S (861.1207)


An acyl-CoA(4-) that is the tetraanion of 2-methylacetoacetyl-CoA, arising from deprotonation of phosphate and diphosphate functions.

   

4-methylpentanoyl-CoA(4-)

4-methylpentanoyl-CoA(4-)

C27H42N7O17P3S (861.1571)


A methyl-branched fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of 4-methylpentanoyl-CoA; major species at pH 7.3.

   

hexanoyl-CoA(4-)

hexanoyl-CoA(4-)

C27H42N7O17P3S (861.1571)


An acyl-CoA(4-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of hexanoyl-CoA; major species at pH 7.3.

   

{[(2r,3s,8r,13r,14s,19r)-19-(4-bromobutyl)-8-(4,4-dibromobutyl)-10,13,21,24,26-pentahydroxy-3,14-dimethyltricyclo[18.2.2.2⁹,¹²]hexacosa-1(22),9,11,20,23,25-hexaen-2-yl]oxy}methanimidic acid

{[(2r,3s,8r,13r,14s,19r)-19-(4-bromobutyl)-8-(4,4-dibromobutyl)-10,13,21,24,26-pentahydroxy-3,14-dimethyltricyclo[18.2.2.2⁹,¹²]hexacosa-1(22),9,11,20,23,25-hexaen-2-yl]oxy}methanimidic acid

C37H54Br3NO7 (861.145)


   

{[19-(4-bromobutyl)-8-(4,4-dibromobutyl)-10,13,21,24,26-pentahydroxy-3,14-dimethyltricyclo[18.2.2.2⁹,¹²]hexacosa-1(22),9,11,20,23,25-hexaen-2-yl]oxy}methanimidic acid

{[19-(4-bromobutyl)-8-(4,4-dibromobutyl)-10,13,21,24,26-pentahydroxy-3,14-dimethyltricyclo[18.2.2.2⁹,¹²]hexacosa-1(22),9,11,20,23,25-hexaen-2-yl]oxy}methanimidic acid

C37H54Br3NO7 (861.145)