Exact Mass: 955.1737794
Exact Mass Matches: 955.1737794
Found 23 metabolites which its exact mass value is equals to given mass value 955.1737794
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
E-Phenylitaconyl-CoA
E-Phenylitaconyl-CoA is involved in toluene degradation. E-phenylitaconyl-CoA reacts with water to produce 2-carboxymethyl-3-hydroxyphenylpropionyl-CoA. E-Phenylitaconyl-CoA is created from (R)-benzylsuccinyl-CoA and an oxidized electron acceptor, with a reduced electron acceptor as a byproduct. E-Phenylitaconyl-CoA is involved in toluene degradation.
Cholesterol iopanoate
5-[(3S)-1,2-dithiolan-3-yl]pentanoyl-CoA
C29H48N7O17P3S3 (955.1481587999999)
5-[(3s)-1,2-dithiolan-3-yl]pentanoyl-coa is an acyl-CoA or acyl-coenzyme A. More specifically, it is a 5-[(3S)-1_2-dithiolan-3-yl]pentanoic acid thioester of coenzyme A. 5-[(3s)-1,2-dithiolan-3-yl]pentanoyl-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. 5-[(3s)-1,2-dithiolan-3-yl]pentanoyl-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. 5-[(3s)-1,2-dithiolan-3-yl]pentanoyl-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, 5-[(3S)-1,2-dithiolan-3-yl]pentanoyl-CoA is transported into the mitochondria, the locus of beta oxidation. Transport of 5-[(3S)-1,2-dithiolan-3-yl]pentanoyl-CoA into the mitochondria requires carnitine palmitoyltransferase 1 (CPT1), which converts 5-[(3S)-1,2-dithiolan-3-yl]pentanoyl-CoA into 5-[(3S)-1_2-dithiolan-3-yl]pentanoylcarnitine, which gets transported into the mitochondrial matrix. Once in the matrix, 5-[(3S)-1_2-dithiolan-3-yl]pentanoylcarnitine is converted back to 5-[(3S)-1,2-dithiolan-3-yl]pentanoyl-CoA by CPT2, whereupon beta-oxidation can begin. Beta oxidation of 5-[(3S)-1,2-dithiolan-3-yl]pentanoyl-CoA occurs in four steps. First, since 5-[(3S)-1,2-dithiolan-3-yl]pentanoyl-CoA is a medium chain acyl-CoA it is the substrate for a medium chain acyl-CoA dehydrogenase, which catalyzes dehydrogenation of 5-[(3S)-1,2-dithiolan-3-yl]pentanoyl-CoA, creating a double bond...
5-hydroxy-feruloyl-CoA
5-hydroxy-feruloyl-coa is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 5-hydroxy-feruloyl-coa can be found in a number of food items such as carob, french plantain, wild rice, and yam, which makes 5-hydroxy-feruloyl-coa a potential biomarker for the consumption of these food products.
jasmonoyl-CoA
Jasmonoyl-coa is a member of the class of compounds known as acyl coas. Acyl coas are organic compounds containing a coenzyme A substructure linked to an acyl chain. Jasmonoyl-coa is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). Jasmonoyl-coa can be found in a number of food items such as prairie turnip, cumin, peach, and yardlong bean, which makes jasmonoyl-coa a potential biomarker for the consumption of these food products.
(5R,7aS)-5-hydroxy-7a-methyl-1-oxo-3,5,6,7-tetrahydro-2H-indene-4-carboxyl-CoA
C32H44N7O19P3S-4 (955.1625464)
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-[(E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate
(Z)-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-phenylbut-3-enoic acid
5-[(3S)-1,2-dithiolan-3-yl]pentanoyl-CoA
C29H48N7O17P3S3 (955.1481587999999)
Lipoic Acid-CoA; (Acyl-CoA); [M+H]+
C29H48N7O17P3S3 (955.1481587999999)
Alpha-Methylisocitric Acid-CoA; (Acyl-CoA); [M+H]+
(e)-2-Benzylidenesuccinyl-CoA
An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (E)-2-benzylidenesuccinic acid.
(4-Coumaroyl)acetyl-CoA
An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (4-coumaroyl)acetic acid.