Exact Mass: 969.1418122000001

Exact Mass Matches: 969.1418122000001

Found 6 metabolites which its exact mass value is equals to given mass value 969.1418122000001, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

sinapoyl-CoA

4-({[({[5-(6-amino-9H-purin-9-yl)-3-(hydrogen phosphonatooxy)-4-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-N-{2-[(2-{[3-(3,5-dimethoxy-4-oxidophenyl)prop-2-enoyl]sulphanyl}ethyl)carboximidato]ethyl}-2-hydroxy-3,3-dimethylbutanecarboximidic acid

C32H42N7O20P3S (969.1418122000001)

Sinapoyl-coa is a member of the class of compounds known as 2-enoyl coas. 2-enoyl coas are organic compounds containing a coenzyme A substructure linked to a 2-enoyl chain. Sinapoyl-coa is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). Sinapoyl-coa can be found in a number of food items such as cloud ear fungus, green bean, durian, and dock, which makes sinapoyl-coa a potential biomarker for the consumption of these food products.

sinapoyl-CoA(4-)

C32H42N7O20P3S-4 (969.1418122000001)

(E)-3-[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]ethylsulfanylcarbonyl]-4-(3-methylphenyl)but-3-enoic acid

(E)-3-[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]ethylsulfanylcarbonyl]-4-(3-methylphenyl)but-3-enoic acid

C33H46N7O19P3S (969.1781956000001)

[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-4-[[3-[2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate

[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-4-[[3-[2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate

C32H42N7O20P3S-4 (969.1418122000001)

PubChem CID: 25244432; (Acyl-CoA); [M+H]+

C33H46N7O19P3S (969.1781956000001)

sinapoyl-CoA(4-)

C32H42N7O20P3S (969.1418122000001)

Tetraanion of sinapoyl-CoA arising from deprotonation of phosphate and diphosphate functions.