Exact Mass: 913.2039
Exact Mass Matches: 913.2039
Found 17 metabolites which its exact mass value is equals to given mass value 913.2039,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Monardaein
Colouring matter of golden balm (Monarda didyma). Monardaein is found in tea. Monardaein is found in tea. Colouring matter of golden balm (Monarda didyma). Monardaein is an anthocyanin cation that is pelargonidin in which the hydroxy group at position 3 is substituted by a 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl group and the hydroxy group at position 5 is substituted by a 4,6-bis-O-(carboxyacetyl)-beta-D-glucopyranosyl group. It has a role as a plant metabolite. It is functionally related to a pelargonidin.
4-phenylbutanoyl-CoA
4-phenylbutanoyl-coa, also known as g-phenyl-butyrate-coa; (acyl-CoA); [m+h]+; is an acyl-CoA or acyl-coenzyme A. More specifically, it is a 4-phenylbutanoic acid thioester of coenzyme A. 4-phenylbutanoyl-coa is an acyl-CoA with 8 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. 4-phenylbutanoyl-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. 4-phenylbutanoyl-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, 4-phenylbutanoyl-CoA is transported into the mitochondria, the locus of beta oxidation. Transport of 4-phenylbutanoyl-CoA into the mitochondria requires carnitine palmitoyltransferase 1 (CPT1), which converts 4-phenylbutanoyl-CoA into 4-phenylbutanoylcarnitine, which gets transported into the mitochondrial matrix. Once in the matrix, 4-phenylbutanoylcarnitine is converted back to 4-phenylbutanoyl-CoA by CPT2, whereupon beta-oxidation can begin. Beta oxidation of 4-phenylbutanoyl-CoA occurs in four steps. First, since 4-phenylbutanoyl-CoA is a medium chain acyl-CoA it is the substrate for a medium chain acyl-CoA dehydrogenase, which catalyzes dehydrogenation of 4-phenylbutanoyl-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 ...
trans-delta2, cis-delta4-decadienoyl-CoA
Trans-delta2, cis-delta4-decadienoyl-coa is also known as (2e,4z)-decadienoyl-coa. Trans-delta2, cis-delta4-decadienoyl-coa is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). Trans-delta2, cis-delta4-decadienoyl-coa can be found in a number of food items such as tartary buckwheat, bitter gourd, mulberry, and ginger, which makes trans-delta2, cis-delta4-decadienoyl-coa a potential biomarker for the consumption of these food products. Trans-Δ2, cis-Δ4-decadienoyl-coa is also known as (2e,4z)-decadienoyl-coa. Trans-Δ2, cis-Δ4-decadienoyl-coa is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). Trans-Δ2, cis-Δ4-decadienoyl-coa can be found in a number of food items such as tartary buckwheat, bitter gourd, mulberry, and ginger, which makes trans-Δ2, cis-Δ4-decadienoyl-coa a potential biomarker for the consumption of these food products.
Monardaein
Monardaein
An anthocyanin cation that is pelargonidin in which the hydroxy group at position 3 is substituted by a 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl group and the hydroxy group at position 5 is substituted by a 4,6-bis-O-(carboxyacetyl)-beta-D-glucopyranosyl group.
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] 4-phenylbutanethioate
cis-geranoyl-CoA(4-)
Tetraanion of geranoyl-CoA arising from deprotonation of phosphate and diphosphate functions.
trans,trans-deca-2,4-dienoyl-CoA(4-)
A trans,trans-2,3,4,5-tetradehydroacyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of trans,trans-deca-2,4-dienoyl-CoA; major species at pH 7.3.
