Exact Mass: 275.0938
Exact Mass Matches: 275.0938
Found 500 metabolites which its exact mass value is equals to given mass value 275.0938,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Liriodenine
Liriodenine is an oxoaporphine alkaloid that is 4,5,6,6a-tetradehydronoraporphin-7-one substituted by a methylenedioxy group across positions 1 and 2. It is isolated from Annona glabra and has been shown to exhibit antimicrobial and cytotoxic activities. It has a role as a metabolite, an antineoplastic agent, an antimicrobial agent, an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an EC 3.2.1.20 (alpha-glucosidase) inhibitor and an antifungal agent. It is a cyclic ketone, an oxacycle, an organic heteropentacyclic compound, an alkaloid antibiotic and an oxoaporphine alkaloid. It is functionally related to an aporphine. Liriodenine is a natural product found in Magnolia mexicana, Annona purpurea, and other organisms with data available. Liriodenine, also known as oxoushinsunine or micheline b, is a member of the class of compounds known as aporphines. Aporphines are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof. Liriodenine is practically insoluble (in water) and a strong basic compound (based on its pKa). Liriodenine can be found in cherimoya and custard apple, which makes liriodenine a potential biomarker for the consumption of these food products. Liriodenine is a bio-active isolate of the Chinese medicinal herb Zanthoxylum nitidum .
Dimethenamid
CONFIDENCE standard compound; INTERNAL_ID 586; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9010; ORIGINAL_PRECURSOR_SCAN_NO 9009 CONFIDENCE standard compound; INTERNAL_ID 586; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9035; ORIGINAL_PRECURSOR_SCAN_NO 9034 CONFIDENCE standard compound; INTERNAL_ID 586; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9091; ORIGINAL_PRECURSOR_SCAN_NO 9090 CONFIDENCE standard compound; INTERNAL_ID 586; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9115; ORIGINAL_PRECURSOR_SCAN_NO 9111 CONFIDENCE standard compound; INTERNAL_ID 586; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9100; ORIGINAL_PRECURSOR_SCAN_NO 9097 CONFIDENCE standard compound; INTERNAL_ID 586; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9054; ORIGINAL_PRECURSOR_SCAN_NO 9052 CONFIDENCE standard compound; INTERNAL_ID 3391 CONFIDENCE standard compound; INTERNAL_ID 8390 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Paraoxon
Paraoxon is an acetylcholinesterase inhibitor. It is an organophosphate oxon, and the active metabolite of the insecticide parathion. It is also used as an opthamological drug against glaucoma. Paraoxon is one of the most potent acetylcholinesterase-inhibiting insecticides available, around 70\\% as potent as the nerve agent sarin, and so is now rarely used as an insecticide due to the risk of poisoning to humans and other animals. It is easily absorbed through skin, and was used as an assassination weapon by the apartheid-era South African chemical weapons program Project Coast. [HMDB] Paraoxon is an acetylcholinesterase inhibitor. It is an organophosphate oxon, and the active metabolite of the insecticide parathion. It is also used as an opthamological drug against glaucoma. Paraoxon is one of the most potent acetylcholinesterase-inhibiting insecticides available, around 70\\% as potent as the nerve agent sarin, and so is now rarely used as an insecticide due to the risk of poisoning to humans and other animals. It is easily absorbed through skin, and was used as an assassination weapon by the apartheid-era South African chemical weapons program Project Coast. S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EB - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
Gamma-glutamylglutamine
N2-gamma-Glutamylglutamine, also known as gamma-L-Glu-L-Gln or L-gamma-glutamyl-L-glutamine, belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. N2-gamma-Glutamylglutamine is a very strong basic compound (based on its pKa). N2-gamma-Glutamylglutamine is a dipeptide obtained from the condensation of the gamma-carboxy group of glutamic acid with the alpha-amino group of glutamine. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. gamma-Glutamylglutamine has been identified in plasma and cerebrospinal fluid from hyperammonaemic patients. [HMDB] H-γ-Glu-Gln-OH is a hydrophilic peptide and can be conjugated to drugs. The carrier composed of H-γ-Glu-Gln-OH has the characteristics of high water solubility and drug-loading capacity, good biocompatibility, low toxicity, improved tumor targeting ability, and anti-tumor efficacy[1].
Cardiospermin
Sarmentosin
Sarmentosin is found in fruits. Sarmentosin is isolated from Ribes nigrum (blackcurrant
Dubinidine
Origin: Plant; SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids
1,6-Anhydro-N-acetyl-beta-muramate
Metronidazole Benzoate
A benzoate ester resulting from the formal condensation of benzoic acid with the hydroxy group of metronidazole. C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent C784 - Protein Synthesis Inhibitor
Glutamylglutamine
Glutamylglutamine is a dipeptide composed of glutamate and glutamine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamylglutamine 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.
(±)-Ribaline
Minor alkaloid from Ruta graveolens (rue). (±)-Ribaline is found in herbs and spices. (±)-Ribaline is found in herbs and spices. Minor alkaloid from Ruta graveolens (rue).
Norophthalmic acid
Norophthalmic acid (y-glutamyl-alanyl-glycine) is an analogue of glutathione (L-cysteine replaced by L-alanine) isolated from crystalline lens. [HMDB] Norophthalmic acid (y-glutamyl-alanyl-glycine) is an analogue of glutathione (L-cysteine replaced by L-alanine) isolated from crystalline lens.
Ethenodeoxyadenosine
Etheno nucleosides are a new class of chemically modified components of nucleic acids. These base-modified nucleosides demonstrate significant biological properties, acting, among others, as antiviral or antitumor agents. One of the possible modifications of the nucleoside is their transformation into ethenonucleosides. Thus, nucleosides or their respective heterocyclic bases, possessing an exocyclic amino group, as well as a neighboring endocyclic nitrogen, can react with some bifunctional reagents (e.g., α-halocarbonyl compounds) to form products with an additional five-membered ring of the imidazole type. The ethenonucleosides basically do not occur in nature; some of the only exceptions are Y-nucleosides. Etheno modified DNA bases are generated from the carcinogens vinyl chloride and urethane, but also by reactions of DNA with products derived from lipid peroxidation (LPO) and oxidative stress via endogenous pathways. Highly variable background levels of epsilon-adducts were detected in DNA from different organs of unexposed humans and rodents. Several known cancer risk factors increased the level of these DNA lesions in target organs: elevated epsilon-adducts were found in hepatic DNA from patients with metal storage diseases, after overproduction of nitric oxide (NO) by inducible NO synthase (iNOS) in a mouse model, and in colonic polyps of familial adenomatous polyposis patients. A high omega-6-polyunsaturated fatty acid diet increased epsilon-DNA adducts in white blood cells of female subjects. (PMID:10882861). Etheno (epsilon) modified DNA bases are generated from the carcinogens vinyl chloride and urethane, but also by reactions of DNA with products derived from lipid peroxidation (LPO) and oxidative stress via endogenous pathways. Highly variable background levels of epsilon-adducts were detected in DNA from different organs of unexposed humans and rodents. Several known cancer risk factors increased the level of these DNA lesions in target organs: elevated epsilon-adducts were found in hepatic DNA from patients with metal storage diseases, after overproduction of nitric oxide (NO) by inducible NO synthase (iNOS) in a mouse model, and in colonic polyps of familial adenomatous polyposis patients. A high omega-6-polyunsaturated fatty acid diet increased epsilon-DNA adducts in white blood cells of female subjects. (PMID: 10882861) [HMDB] N6-Etheno 2'-deoxyadenosine is a reactive oxygen species (ROS)/reactive nitrogen species (RNS)-induced DNA oxidation product, used as a biomarker to evaluate chronic inflammation and lipid peroxidation in animal or human tissues[1].
Glutaminylglutamic acid
Glutaminylglutamic acid is a dipeptide composed of glutamine and glutamic acid. 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.
Tryptophyl-Alanine
Tryptophyl-Alanine is a dipeptide composed of tryptophan 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Glutarylcarnitine (C5-DC)
Glutarylcarnitine is an acylcarnitine. More specifically, it is an glutaric 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. Glutarylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine glutarylcarnitine 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). Glutarylcarnitine has been identified in the human placenta (PMID: 32033212 ). 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]. Glutarylcarnitine is the diagnostic metabolite for malonic aciduria and glutaric aciduria type I monitored in most tandem mass spectrometry newborn screening programmes.
Alanyltryptophan
Alanyltryptophan is a dipeptide composed of alanine and tryptophan. 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.
Glutamyl-Gamma-glutamate
Glutamyl-Gamma-glutamate is a dipeptide composed of glutamate 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.
N-gamma-Glutamylglutamine
N-gamma-Glutamylglutamine is a dipeptide obtained from condensation of the gamma-carboxy group of glutamic acid with the side-chain amide group of 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.
5-Amino-6-(4-hydroxy-2-butenoyl)-2,2-dimethyl-4-chromanone
5-Amino-6-(4-hydroxy-2-butenoyl)-2,2-dimethyl-4-chromanone is produced by Fusarium equiseti. Production by Fusarium equiseti
O-Glutarylcarnitine
O-Glutarylcarnitine is an acylcarnitine. More specifically, it is an glutaric 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. O-Glutarylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine O-Glutarylcarnitine 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-Ethylpropanedioylcarnitine
2-Ethylpropanedioylcarnitine is an acylcarnitine. More specifically, it is an 2-ethylpropanedioic 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. 2-Ethylpropanedioylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 2-Ethylpropanedioylcarnitine 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].
N6-Etheno 2'-deoxyadenosine
N6-Etheno 2'-deoxyadenosine is a reactive oxygen species (ROS)/reactive nitrogen species (RNS)-induced DNA oxidation product, used as a biomarker to evaluate chronic inflammation and lipid peroxidation in animal or human tissues[1].
2-Nitrobenzanthrone
3-Nitrobenzanthrone
Flumazenil acid
Ibafloxacin
lavendustin c
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor
Metronidazole benzoate
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent C784 - Protein Synthesis Inhibitor
1-Nitrobenzantrone
1-((2-Methyl-5-methylene-5-oxotetrahydrofuran-2-yl)methyl)guanine
(2S,3S,5R)-5-(6-Aminopurin-9-yl)-2-(2H-oxet-2-yl)oxolan-3-ol
[(1S,2S,4S,5S)-2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)-4-bicyclo[3.1.0]hexanyl]methanol
Imazapic
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 616; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3452; ORIGINAL_PRECURSOR_SCAN_NO 3451 CONFIDENCE standard compound; INTERNAL_ID 616; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3472; ORIGINAL_PRECURSOR_SCAN_NO 3470 CONFIDENCE standard compound; INTERNAL_ID 616; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3387; ORIGINAL_PRECURSOR_SCAN_NO 3385 CONFIDENCE standard compound; INTERNAL_ID 616; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3462; ORIGINAL_PRECURSOR_SCAN_NO 3461 CONFIDENCE standard compound; INTERNAL_ID 616; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3400; ORIGINAL_PRECURSOR_SCAN_NO 3398 CONFIDENCE standard compound; INTERNAL_ID 616; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3396; ORIGINAL_PRECURSOR_SCAN_NO 3394 CONFIDENCE standard compound; INTERNAL_ID 616; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7071; ORIGINAL_PRECURSOR_SCAN_NO 7067 CONFIDENCE standard compound; INTERNAL_ID 616; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7108; ORIGINAL_PRECURSOR_SCAN_NO 7106 CONFIDENCE standard compound; INTERNAL_ID 616; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7114; ORIGINAL_PRECURSOR_SCAN_NO 7111 CONFIDENCE standard compound; INTERNAL_ID 616; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7134; ORIGINAL_PRECURSOR_SCAN_NO 7132 CONFIDENCE standard compound; INTERNAL_ID 616; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7141; ORIGINAL_PRECURSOR_SCAN_NO 7139 CONFIDENCE standard compound; INTERNAL_ID 616; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7149; ORIGINAL_PRECURSOR_SCAN_NO 7147
Nifuroxazide
A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07A - Intestinal antiinfectives C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D000890 - Anti-Infective Agents
N1-(2,4-Dimethoxyphenyl)-2-cyano-3-(dimethylamino)acrylamide
flufenacet ESA
An organosulfonic acid that is 2-oxoethanesulfonic acid substituted by a (4-fluorophenyl)(propan-2-yl)amino group at position 2. It is metabolite of the herbicide flufenacet. CONFIDENCE standard compound; EAWAG_UCHEM_ID 663 EAWAG_UCHEM_ID 663; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 2054
2-(1,2-dihydroxy-1-methyl-ethyl)-9-methyl-3,9-dihydro-2H-furo[2,3-b]quinolin-4-one|Folisin|Folisine
(Z)-1-(4,5-Methylenedioxy-2-methoxycinnamoyl)pyrrolidine|N-[3-(3,4-methylenedioxy,6-methoxyphenyl)-2(Z)-propenoyl]pyrrolidine|N-[3-(6-Methoxy-3,4-methylenedioxyphenyl)-2(Z)-propenoyl]pyrrolidine
5-methoxy-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]quinoline-3,7-diol|N-demethyl-O-methyl-ribalinidine|Ribalinidin
Liriodenine
Liriodenine is an oxoaporphine alkaloid that is 4,5,6,6a-tetradehydronoraporphin-7-one substituted by a methylenedioxy group across positions 1 and 2. It is isolated from Annona glabra and has been shown to exhibit antimicrobial and cytotoxic activities. It has a role as a metabolite, an antineoplastic agent, an antimicrobial agent, an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an EC 3.2.1.20 (alpha-glucosidase) inhibitor and an antifungal agent. It is a cyclic ketone, an oxacycle, an organic heteropentacyclic compound, an alkaloid antibiotic and an oxoaporphine alkaloid. It is functionally related to an aporphine. Liriodenine is a natural product found in Magnolia mexicana, Annona purpurea, and other organisms with data available. An oxoaporphine alkaloid that is 4,5,6,6a-tetradehydronoraporphin-7-one substituted by a methylenedioxy group across positions 1 and 2. It is isolated from Annona glabra and has been shown to exhibit antimicrobial and cytotoxic activities.
(2E,4E,6E)-N-isopentyl-7-(2-thienyl)-2,4,6-heptatrienamide
(-)-debromoeudistomin K|(-)-Debromoeudistomin L|Debromoeudistomin K|debromoeudistomin K trifluoroacetate
alpha-deS-Glutathione|H-alpha-Glu-Ala-Gly-OH|norophthalmic acid
2-(1-hydroxy-1-methyl-ethyl)-4-methoxy-2,3-dihydro-furo[2,3-b]quinolin-3-ol|Myrtopsin|Myrtopsine|trans-2,3-dihydro-3-hydroxy-4-methoxy-alpha,alpha-dimethylfuro[2,3-b]quinoline-2-methanol
alanyltryptophan
Alanyltryptophan is a derivative of tryptophan. Tryptophan is an essential amino acid which is the precursor of serotonin. [HMDB]
lavendustin c
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor
Dimethenamid
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 254
gamma-Glutamylglutamine
H-γ-Glu-Gln-OH is a hydrophilic peptide and can be conjugated to drugs. The carrier composed of H-γ-Glu-Gln-OH has the characteristics of high water solubility and drug-loading capacity, good biocompatibility, low toxicity, improved tumor targeting ability, and anti-tumor efficacy[1].
bupropion hydrochloride
D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065690 - Cytochrome P-450 CYP2D6 Inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators D000077444 - Smoking Cessation Agents
4-[[2-[(E)-3-hydroxybut-1-enyl]-5-oxooxolan-3-yl]amino]benzaldehyde
(4E,6E)-3-(4-formylanilino)-8-hydroxyocta-4,6-dienoic acid
4-methoxy-3-methylsulfanyl-2-(nitrosomethylidene)-6-pyridin-2-yl-1H-pyridine
BEZ-da
CONFIDENCE Probable structure via diagnostic evidence, tentative identification (Level 2b); ALGAE_TP_ID 2901
Ethenodeoxyadenosine
N6-Etheno 2'-deoxyadenosine is a reactive oxygen species (ROS)/reactive nitrogen species (RNS)-induced DNA oxidation product, used as a biomarker to evaluate chronic inflammation and lipid peroxidation in animal or human tissues[1].
PARAOXON
S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EB - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors An aryl dialkyl phosphate where both the alkyl groups are ethyl and the aryl group is 4-nitrophenyl. C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
4-methoxy-3-methylsulfanyl-2-(nitrosomethylidene)-6-pyridin-2-yl-1H-pyridine [IIN-based on: CCMSLIB00000848991]
4-methoxy-3-methylsulfanyl-2-(nitrosomethylidene)-6-pyridin-2-yl-1H-pyridine [IIN-based: Match]
Glutarylcarnitine
Glutarylcarnitine is the diagnostic metabolite for malonic aciduria and glutaric aciduria type I monitored in most tandem mass spectrometry newborn screening programmes.
Flumazenil acid
Flumazenil acid is a metabolite of Flumazenil[1]. Flumazenil is a GABAA receptor antagonist[2].
Norophthalmic acid
A tripeptide composed of L-glutamic acid, L-alanine, and glycine residues joined in sequence by peptide linkages.
Ala-Trp
A dipeptide formed from L-alanyl and L-tryptophan residues.
TRP-Ala
A dipeptide formed from L-tryptophan and L-alanine residues.
5-Amino-6-(4-hydroxy-2-butenoyl)-2,2-dimethyl-4-chromanone
(R)-2-(2-CHLOROBENZYL)PYRROLIDINE-2-CARBOXYLIC ACID HYDROCHLORIDE
(R)-2-(3-CHLOROBENZYL)PYRROLIDINE-2-CARBOXYLIC ACID HYDROCHLORIDE
cis-2-(benzyloxycarbonylamino)-4-cyclohexene-1-carboxylic acid
Butanamide,N-(1,3-dioxobutyl)-N-(2-methylphenyl)-3-oxo-
[7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
3-(1-Oxo-4-Phenylphthalazin-2(1H)-yl)propaneitrile
propan-2-yl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate
1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid
1-(TERT-BUTYL) 2-METHYL 1H-INDOLE-1,2-DICARBOXYLATE
2-AMINO-4-(4-ISOPROPYL-PHENYL)-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
N-(4-CHLOROPHENYL)-N-(4,6-DIMETHYLPYRIMIDIN-2-YL)GUANIDINE
4-(5-amino-4-ethoxycarbonylpyrazol-1-yl)benzoic acid
METHYL 3-(2-CARBOXY-VINYL)-6-METHOXY-1H-INDOLE-2-CARBOXYLATE
2-AMINO-4-(4-ETHYLPHENYL)-5-METHYLTHIOPHENE-3-CARBOXYLICACIDMETHYLESTER
tipepidine
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent
[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid
METHYL 2-OXO-1-(PIPERIDIN-4-YL)-2,3-DIHYDRO-1H-BENZO[D]IMIDAZOLE-5-CARBOXYLATE
METHYL 2-((1,3-DIOXOISOINDOLIN-2-YL)METHYL)-3-OXOBUTANOATE
METHYL 3-FLUORO-3-NITRO-[1,1-BIPHENYL]-4-CARBOXYLATE
METHYL 4-FLUORO-3-NITRO-[1,1-BIPHENYL]-3-CARBOXYLATE
METHYL 5-FLUORO-4-NITRO-[1,1-BIPHENYL]-3-CARBOXYLATE
5-[(4-methoxyphenyl)methoxy]-4-oxo-1H-pyridine-2-carboxylic acid
3-nitro-trans-beta-styrylboronic acid pinacol ester
methyl 3-(2-carboxy-vinyl)-4-methoxy-1h-indole-2-carboxylate
N-BOC-THIOMORPHOLINE-3-CARBOXYLIC ACID ETHYL ESTER
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]acetic acid
4-[(4-METHYLPHENYL)SULFONYL]PIPERIDINEHYDROCHLORIDE
4-(4-METHOXY-2,5-DIMETHYL-PHENYL)-5-METHYL-THIAZOL-2-YLAMINE
3-Amino-3-(3,4-dimethoxy-phenyl)-propionic acid methyl ester hydrochloride
4-(4-chlorophenyl)piperidine-4-carboxylic acid,hydrochloride
5,5,5-TRIFLUORO-4-P-TOLYLAMINO-PENTANOIC ACID METHYL ESTER
4-BENZYL-2-MORPHOLINECARBONYL CHLORIDE HYDROCHLORIDE
3-hydroxy-N-(1-methylpyrazol-3-yl)-5-propan-2-yloxybenzamide
2-AMINO-4-(2,4-DIMETHYLPHENYL)-5-METHYLTHIOPHENE-3-CARBOXYLICACIDMETHYLESTER
Benzaldehyde,4-[bis(2-chloroethyl)amino]-2-methoxy-
4,4,5,5-tetramethyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3,2-dioxaborolane
(S)-2-(3-CHLOROBENZYL)PYRROLIDINE-2-CARBOXYLIC ACID HYDROCHLORIDE
tris(2-hydroxyethyl)methylammonium methyl sulphate
Ethyl 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one
1-(DIPHENYLMETHYL)-3-HYDROXYAZETIDINE HYDROCHLORIDE
(2S,4R)-N-Boc-4-acetylthio-2-hydroxymethyl-1-pyrrolidinecarboxylic acid
4-(1-Piperazinyl)-1H-pyrrolo[2,3-d]pyrimidine dihydrochloride
(S)-2-(2-CHLOROBENZYL)PYRROLIDINE-2-CARBOXYLIC ACID HYDROCHLORIDE
2H-Thiopyran-4-acetic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]tetrahydro
(2-FLUOROPHENYL)(4-METHOXY-3-NITROPHENYL)METHANONE
Ethyl 2-amino-5-(4-nitrophenyl)-1H-pyrrole-3-carboxylate
3-FLUORO-2-METHYL-5-NITRO-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
4-METHYL-5-[(3-PYRAZIN-2-YL-1,2,4-OXADIAZOL-5-YL)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
1-Pyrrolidinecarboxylic acid, 4-(acetylthio)-2-(hydroxymethyl)-, 1,1-dimethylethyl ester, (2S,4S)
(1-(TERT-BUTOXYCARBONYL)-4-METHYL-1H-INDOL-2-YL)BORONIC ACID
Spiro[piperidine-4,2(3aH)-thiazolo[5,4-c]pyridine],4,5,6,7-tetrahydro-1,5-dimethyl-, hydrochloride (1:2)
2-(tert-Butylamino)-4′-chloropropiophenone hydrochloride
3-PHENYL-4-(1H-TETRAZOL-5-YLCARBAMOYL)-BUTYRIC ACID
3-[(3,5-dimethylphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Choline tosylate
Choline tosylate is a nucleophilic compound that inhibits phospholipase A2 and phospholipase C. Choline tosylate inhibits tumor growth in mice by inhibiting the formation of diacylglycerol (DAG)[1][2].
ethyl 6-(4-chlorophenyl)-2-methylpyridine-3-carboxylate
5-FLUORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YLAMINEHYDROCHLORIDE
1-Pentanone-5-methoxy-1-[4-(trifluoromethyl)phenyl]-oxime
8-cyclopentyl-5-Methyl-2-(Methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one
Levalbuterol Hydrochloride
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist Levalbuterol ((R)-Albuterol) hydrochloride is a short-acting β2-adrenergic receptor agonist and the active (R)-enantiomer of Salbutamol. Levalbuterol hydrochloride is a more potent bronchodilator than Salbutamol and has the potential for the treatment of COPD[1].
2-Pyrimidinamine, 4-(4-chloro-6-Methoxy-3H-pyrrolo[2,3-b]pyridin-3-yl)-
(2S,4R)-4-(2-Chlorobenzyl)pyrrolidine-2-carboxylic acid hydrochloride
(2S,4R)-4-(3-Chlorobenzyl)pyrrolidine-2-carboxylic acid hydrochloride
(2S,4R)-4-(4-CHLOROBENZYL)PYRROLIDINE-2-CARBOXYLIC ACID HYDROCHLORIDE
(S)-2-(4-CHLOROBENZYL)PYRROLIDINE-2-CARBOXYLIC ACID HYDROCHLORIDE
(R)-2-(4-CHLOROBENZYL)PYRROLIDINE-2-CARBOXYLIC ACID HYDROCHLORIDE
ethyl (E)-3-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)prop-2-enoate
Ibafloxacin
C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
4-CYANO-3-FLUOROPHENYL TRANS-4-ETHYLCYCLOHEXANECARBOXYLATE
4-ALLYL-5-(4-ETHYL-PHENOXYMETHYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
ethyl 3-[ethoxycarbonyl-(2-ethoxy-2-oxoethyl)amino]propanoate
N-[(4-CHLORO-PHENYL)-(2-HYDROXY-PHENYL)-METHYL]-ACETAMIDE
2-(METHYLTHIO)-4-[(2-METHOXYPHENYL)AMINO]-5-PYRIMIDINECARBOXALDEHYDE
3-Phenyl-2-[(thiophene-2-carbonyl)-amino]-propionic acid
ETHYL 6-METHOXY-7-METHYL-6H-[1,2,5]OXADIAZOLO[3,4-E]INDOLE-8-CARBOXYLATE
4-(5-cyanopyridin-2-yl)-n-methyl-1,4-diazepane-1-carbothioamide
3-(1-PYRROLIDINYL)-5-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOTHIOAMIDE
(2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
METHYL 3-(2-CARBOXY-VINYL)-5-METHOXY-1H-INDOLE-2-CARBOXYLATE
N-[[(4-Nitrophenyl)amino]carbonyl]-β-alanine sodium
Methyl (S)-4-Methylene-1-(benzyloxycarbonyl)pyrrolidine carboxylate
4-[[(4-FLUOROPHENYL)SULFONYL](METHYL)AMINO]BUTANOIC ACID
4-(BENZYLAMINO)-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID
2-Azaspiro[3.3]heptane-2,6-dicarboxylic acid 2-benzyl ester
Ethyl 5-(acetyloxy)-1,2-dimethyl-1H-indole-3-carboxylate
3-[(4-methyl-1,3-thiazol-5-yl)methyl]-7,8-dihydro-6H-chromene-2,5-dione
7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE
ethyl 3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylate
Methyldopate hydrochloride
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist
Meturedepa
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
5-(4-DIETHYLAMINO-BENZYLIDENE)-2-THIOXO-IMIDAZOLIDIN-4-ONE
6-[4-(DIMETHYLAMINO)PHENYL]-1,2,5,6-TETRAHYDRO-4-METHYL-2-OXO-5-PYRIMIDINECARBOX
2-Pyridinemethanol, 4-[4-(methylamino)-3-nitrophenoxy]
5,6-DIHYDRO-5-OXO-1,3(4H)-PYRIDINEDICARBOXYLIC ACID, 3-METHYL 1-PHENYL ESTER
METHYL 4-FLUORO-4-NITRO-[1,1-BIPHENYL]-3-CARBOXYLATE
N-[6-(chloromethyl)naphthalen-2-yl]-2,2-dimethylpropanamide
ethyl 2-amino-5-(1-phenylethyl)thiophene-3-carboxylate
Benzenesulfonamide,N-(2,6-dimethylphenyl)-4-methyl-
METHYL (2S)-1-CBZ-1,2,3,4-TETRAHYDRO-2-PYRIDINECARBOXYLATE
4,5-Dimethoxy-2-[(methylsulfonyl)amino]benzoic acid
4-Chloro-7-(4-methoxybenzyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
4-Methoxy-N-((4-(trifluoromethyl)phenyl)methyl)-butanamide
[4-Amino-2-(Tert-Butylamino)-1,3-Thiazol-5-Yl](Phenyl)methanone
3-methoxy-N-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline
5-Methyl-2-((4R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl) nicotinic acid
5-Methyl-2-((4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl) nicotinic acid
3-(Naphthalen-1-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
1-Acetyl-3,6-bis(methylsulfanyl)-1,2,3,6-tetrahydro-2-pyridinyl acetate
(1R)-1-(2-Thienylacetylamino)-1-phenylmethylboronic acid
1-Methyl-3-Naphthalen-2-Yl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
2-[(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxoimidazol-1-yl]acetic acid
3773-08-8
4-[[2-(3-Hydroxybut-1-enyl)-5-oxooxolan-3-yl]amino]benzaldehyde
4-Amino-5-[(4-amino-1-carboxy-4-oxobutyl)amino]-5-oxopentanoic acid
3-(4-Hydroxy-3,5-dimethoxyphenyl)propanoylpyrrole
A natural product found in Piper boehmeriaefolium.
L-saccharopinate(1-)
The conjugate base of L-saccharopine arising from deprotonation of all three carboxy groups and protonation of the primary and secondary amino groups; major species at pH 7.3.
4-Formyl-3-hydroxy-7-methyl-5,8-dioxo-1-propan-2-yl-6,7-dihydronaphthalen-2-olate
(2S,3S,4R,5S,6S)-5-acetamido-4-(1-aminoethylideneamino)-3,6-dihydroxyoxane-2-carboxylic acid
N,N-Bis(2-chloroethyl)-p-aminophenylacetic acid
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds
2-[(4-Aminophenoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
[(1S,2S,4S,5S)-2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)-4-bicyclo[3.1.0]hexanyl]methanol
(2S,3S,5R)-5-(6-Aminopurin-9-yl)-2-(2H-oxet-2-yl)oxolan-3-ol
Ala-Ala-Asp
A tripeptide composed of two L-alanyl and an L-aspartic acid residue joined in sequence.
2-(2-furanyl)-N-phenyl-3-imidazo[1,2-a]pyridinamine
N-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide
N-(4-methylphenyl)-4-benzofuro[3,2-d]pyrimidinamine
4-amino-N-[(E)-(4-nitrophenyl)methylidene]-1,2,5-oxadiazole-3-carbohydrazonamide
1-[2-(4-Methoxyphenyl)ethyl]-3,5-dimethyl-4-nitropyrazole
1-[[2-Furanyl(oxo)methyl]amino]-3-(3-methylphenyl)thiourea
5,6-dimethyl-N-(thiophen-2-ylmethyl)-4-thieno[2,3-d]pyrimidinamine
N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)butanamide
(E)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-phenylprop-2-en-1-amine
5-(2-Oxolanylmethylamino)-2-thiophen-2-yl-4-oxazolecarbonitrile
Acetic acid 2-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]ethyl ester
2-(2-Chlorophenyl)-5-(2-methylpropylamino)-4-oxazolecarbonitrile
2-[4-(4-fluorophenyl)-2-thiazolyl]-5-methyl-4H-pyrazol-3-one
N-(2-furanylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-one
2-(Hydroxymethyl)-3-(5-nitro-2-pyrrolidin-1-ylphenyl)propanenitrile
(3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoate
A hydroxy monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoic acid. It is a trimer of (3R)-hydroxybutanoate; major microspecies at pH 7.3.
1-Methyl-3-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]thiourea
Acetic acid [3-[3-(dimethylamino)-1-oxopropyl]-5-benzofuranyl] ester
(4E,6E)-3-(4-formylanilino)-8-hydroxyocta-4,6-dienoic acid
6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxohexanoate
(5R)-5-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxohexanoate
(3R)-3-(4-carboxybutanoyloxy)-4-[methyl-bis(trideuteriomethyl)azaniumyl]butanoate
2-(2-Acetylamino-4-hydroxy-6,8-dioxa-bicyclo[3.2.1]oct-3-yloxy)-propionic acid
pentalenolactone(1-)
A monocarboxylic acid anion that is the conjugate base of pentalenolactone, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(3S)-3-[(4-carboxybutanoyl)oxy]-4-(trimethylazaniumyl)butanoate
1,N6-Ethenodeoxyadenosine
N6-Etheno 2'-deoxyadenosine is a reactive oxygen species (ROS)/reactive nitrogen species (RNS)-induced DNA oxidation product, used as a biomarker to evaluate chronic inflammation and lipid peroxidation in animal or human tissues[1].
L-Cys(IAN)
An S-conjugate that is the S-cyano(1H-indol-3-yl)methyl derivative of L-cysteine.
L-Cys(IAN) zwitterion
An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-Cys(IAN). It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
gamma-Glu-Gln
A dipeptide obtained by formal condensation of the gamma-carboxy group of glutamic acid with the amino group of glutamine
O-Glutaroyl-L-carnitine
An O-acyl-L-carnitine in which the acyl group is specified as glutaroyl.
