Exact Mass: 217.0982
Exact Mass Matches: 217.0982
Found 125 metabolites which its exact mass value is equals to given mass value 217.0982,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
pymetrozine
CONFIDENCE standard compound; EAWAG_UCHEM_ID 2947 CONFIDENCE standard compound; INTERNAL_ID 257; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2674; ORIGINAL_PRECURSOR_SCAN_NO 2673 CONFIDENCE standard compound; INTERNAL_ID 257; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2682; ORIGINAL_PRECURSOR_SCAN_NO 2681 CONFIDENCE standard compound; INTERNAL_ID 257; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2679; ORIGINAL_PRECURSOR_SCAN_NO 2677 CONFIDENCE standard compound; INTERNAL_ID 257; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2664; ORIGINAL_PRECURSOR_SCAN_NO 2662 CONFIDENCE standard compound; INTERNAL_ID 257; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2667; ORIGINAL_PRECURSOR_SCAN_NO 2665
N-acetylcitrulline
N-alpha-Acetyl-L-citrulline, also known as N-acetylcitrulline, is an N-acetylated metabolite of citrulline that is part of the arginine biosynthetic pathway. Arginine biosynthesis is notable for its complexity and variability at the genetic level, and by its connection with several other pathways, such as pyrimidine and polyamine biosynthesis, and certain degradative pathways. The initial steps of the arginine biosynthetic pathways proceed via N-acetylated intermediates. The presumed reason for this is that the acetylation prevents the spontaneous cyclization of glutamate derivatives, which leads to proline biosynthesis. N-acetyl-L-ornithine can be transcarbamylated directly by the enzyme acetylornithine transcarbamylase, resulting in N-acetyl-L-citrulline. The enzyme acetylornithine deacetylase can accept N-acetyl-L-citrulline as a substrate and can deacetylate it into citrulline. N-alpha-Acetyl-L-citrulline is found in cases of deficiency of the urea cycle enzyme argininosuccinate synthase (EC 6.3.4.5) that leads to increased concentrations of citrulline and N-acetylcitrulline in the urine (PMID: 14633929). N-acetyl-l-citrulline, also known as (S)-2-acetamido-5-ureidopentanoic acid, is a member of the class of compounds known as N-acyl-l-alpha-amino acids. N-acyl-l-alpha-amino acids are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom. N-acetyl-l-citrulline is slightly soluble (in water) and a weakly acidic compound (based on its pKa). N-acetyl-l-citrulline can be found in a number of food items such as macadamia nut, persian lime, broccoli, and annual wild rice, which makes N-acetyl-l-citrulline a potential biomarker for the consumption of these food products.
1-Aminopyrene
1-aminopyrene belongs to the family of Pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
1-Isothiocyanato-8-(methylthio)octane
1-Isothiocyanato-8-(methylthio)octane is found in brassicas. 1-Isothiocyanato-8-(methylthio)octane is a flavour component of Japanese horseradish (Wasabia japonica). Flavour component of Japanese horseradish (Wasabia japonica). 1-Isothiocyanato-8-(methylthio)octane is found in brassicas.
Glutaminylalanine
Glutaminylalanine is a dipeptide composed of glutamine and alanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Alanylglutamine
Alanylglutamine is a dipeptide composed of alanine and glutamine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. B - Blood and blood forming organs > B05 - Blood substitutes and perfusion solutions > B05X - I.v. solution additives > B05XB - Amino acids L-Alanyl-L-glutamine, a glutamine dipeptide, is benefit for the antioxidant system, attenuating inflammation, and may modulate the heat shock protein (HSP) response in catabolic situations[1]. L-Alanyl-L-glutamine, a glutamine dipeptide, is benefit for the antioxidant system, attenuating inflammation, and may modulate the heat shock protein (HSP) response in catabolic situations[1].
Alanyl-Gamma-glutamate
Alanyl-Gamma-glutamate is a dipeptide composed of alanine and gamma-glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
3-[(2-Oxoacetyl)oxy]-4-(trimethylazaniumyl)butanoate
3-[(2-oxoacetyl)oxy]-4-(trimethylazaniumyl)butanoate is an acylcarnitine. More specifically, it is an 2-oxoacetic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-[(2-oxoacetyl)oxy]-4-(trimethylazaniumyl)butanoate is therefore classified as a short chain AC. As a short-chain acylcarnitine 3-[(2-oxoacetyl)oxy]-4-(trimethylazaniumyl)butanoate is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
2-(2-Aminopropanylamino)-4-carbamoylbutyric acid
Acetylcitrulline
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; WMQMIOYQXNRROC-LURJTMIESA-N_STSL_0245_Acetylcitrulline_1000fmol_190413_S2_LC02MS02_076; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.
1-[(tert-butoxy)carbonyl]-3-hydroxyazetidine-3-carboxylic acid
1-(6-methylpyridin-2-yl)imidazole-4-carbohydrazide
1-(2-FLUORO-BENZOYLAMINO)-CYCLOHEPTANECARBOXYLICACID
5-METHYL-2-PHENYL-2H-1,2,3-TRIAZOLE-4-CARBOHYDRAZIDE
2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethanamine(SALTDATA: HCl)
1,6,8-TRIMETHYL-1,2,3,6-TETRAHYDRODIPYRAZOLO[3,4-B:3,4-D]PYRIDIN-3-ONE
Ethyl 2-amino-5-methyl-4-phenylthiophene-3-carboxylate
1H-1,2,3-Triazole-4-carboxamide,5-amino-1-(phenylmethyl)-
(S)-2-(tert-butoxycarbonyl)isoxazolidine-3-carboxylic acid
(3-Cyclohexyl-1,2,4-oxadiazol-5-yl)methylamine hydrochloride
N-alpha-Acetylcitrulline
N-a-Acetylcitrulline is an N-acetylated metabolite of citrulline that is part of the arginine biosynthetic pathway. Arginine biosynthesis is notable for its complexity and variability at the genetic level, and by its connection with several other pathways, such as pyrimidine and polyamine biosynthesis, and certain degradative pathways. The initial steps of the arginine biosynthetic pathways proceed via N-acetylated intermediates. The presumed reason for this is that the acetylation prevents the spontaneous cyclization of glutamate derivatives, which leads to proline biosynthesis. N-acetyl-L-ornithine can be transcarbamylated directly by the enzyme acetylornithine transcarbamylase, resulting in N-acetyl-L-citrulline. The enzyme acetylornithine deacetylase can accept N-acetyl-L-citrulline as a substrate, and can deacetylate it into citrulline. N-a-Acetylcitrulline is found in cases of deficiency of the urea cycle enzyme argininosuccinate synthase (EC 6.3.4.5) that leads to increased concentrations of citrulline and N-acetylcitrulline in the urine. (PMID: 14633929) [HMDB]
(2S)-5-amino-2-{[(2S)-2-azaniumylpropanoyl]amino}-5-oxopentanoate
3-[(2-Oxoacetyl)oxy]-4-(trimethylazaniumyl)butanoate
(E)-3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]prop-2-enoic acid
H-Ala-Gln-OH
B - Blood and blood forming organs > B05 - Blood substitutes and perfusion solutions > B05X - I.v. solution additives > B05XB - Amino acids L-Alanyl-L-glutamine, a glutamine dipeptide, is benefit for the antioxidant system, attenuating inflammation, and may modulate the heat shock protein (HSP) response in catabolic situations[1]. L-Alanyl-L-glutamine, a glutamine dipeptide, is benefit for the antioxidant system, attenuating inflammation, and may modulate the heat shock protein (HSP) response in catabolic situations[1].
Ala-Gln zwitterion
A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ala-Gln.
Ala-Ala-Gly
A tripeptide composed of two L-alanine units and a glycine joined by peptide linkages.
8-(methylthio)octylisothiocyanate
An isothiocyanate that is octane in which two of the terminal methyl hydrogens at positions 1 and 8 have been replaced by isothiocyanato and methylsulfanyl groups.
