Exact Mass: 275.0747
Exact Mass Matches: 275.0747
Found 488 metabolites which its exact mass value is equals to given mass value 275.0747,
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
D-glucosaminic acid 6-phosphate
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.
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
N-(2-formyl-3-chlorophenyl)anthranilic acid
N-(2-formyl-3-chlorophenyl)anthranilic acid belongs to the family of Aminobenzoic Acid Derivatives. These are organic compounds containing a benzoic acid moiety with an amine group attached to the benzene ring.
Lorcaserin sulfamate
Lorcaserin sulfamate is a metabolite of lorcaserin. Lorcaserin (APD-356, trade name Lorqess) is a weight-loss drug developed by Arena Pharmaceuticals. It has serotonergic properties and acts as an anorectic. On 22 December 2009 a New Drug Application (NDA) was submitted to the Food and Drug Administration (FDA) in the United States. On 16 September 2010, an FDA advisory panel voted to recommend against approval of the drug based on concerns over both safety and efficacy. (Wikipedia)
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
Meticrane
C - Cardiovascular system > C03 - Diuretics > C03B - Low-ceiling diuretics, excl. thiazides > C03BA - Sulfonamides, plain C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49185 - Thiazide Diuretic
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
(5R)-3-Ethylsulfanyl-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
(2S,3S,5R)-5-(6-Aminopurin-9-yl)-2-(2H-oxet-2-yl)oxolan-3-ol
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
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.
(-)-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
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
7,8-Dihydroxy-3-(2-methyl-thiazol-4-yl)-chromen-4-one
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]
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.
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-
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
Benzenecarbohydrazonoylchloride, N-(4-nitrophenyl)-
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-((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
4-(trifluoromethyl)quinoline-2-carboximidamide,hydrochloride
3-(trifluoromethyl)quinoline-2-carboximidamide,hydrochloride
7-(trifluoromethyl)quinoline-2-carboximidamide,hydrochloride
6-(trifluoromethyl)quinoline-2-carboximidamide,hydrochloride
5-[(4-methoxyphenyl)methoxy]-4-oxo-1H-pyridine-2-carboxylic acid
8-(trifluoromethyl)quinoline-2-carboximidamide,hydrochloride
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
3-HYDROXYMETHYL-6-(2-NITROPHENYL)IMIDAZO[2,1-B]THIAZOLE
4-[(4-METHYLPHENYL)SULFONYL]PIPERIDINEHYDROCHLORIDE
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
2-AMINO-4-(2,4-DIMETHYLPHENYL)-5-METHYLTHIOPHENE-3-CARBOXYLICACIDMETHYLESTER
Benzaldehyde,4-[bis(2-chloroethyl)amino]-2-methoxy-
6-AMINO-5-BROMO-1-ISOBUTYL-3-METHYL-1H-PYRIMIDINE-2,4-DIONE
(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
2-(2-CHLORO-ACETYLAMINO)-4,5-DIMETHYL-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
1-(DIPHENYLMETHYL)-3-HYDROXYAZETIDINE HYDROCHLORIDE
ETHYL1-(3-CHLOROPHENYL)-5-CYANO-1H-PYRAZOLE-4-CARBOXYLATE
1-(2-CHLORO-PHENYL)-5-CYANO-1H-PYRAZOLE-4-CARBOXYLICACIDETHYLESTER
ETHYL1-(4-CHLOROPHENYL)-5-CYANO-1H-PYRAZOLE-4-CARBOXYLATE
(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
N-(4-Chloro-3-cyano-7-methoxy-6-quinolinyl)acetamide
Ethyl 2-amino-5-(4-nitrophenyl)-1H-pyrrole-3-carboxylate
Ethyl 5-chloropyrazolo[1,5-a]quinazoline-3-carboxylate
3-(CHLOROMETHYL)-5-(5-METHYL-3-PHENYLISOXAZOL-4-YL)-1,2,4-OXADIAZOLE
3-FLUORO-2-METHYL-5-NITRO-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
2-(5-nitrothiophen-2-yl)-2,3-dihydro-1H-quinazolin-4-one
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)
Spiro[piperidine-4,2(3aH)-thiazolo[5,4-c]pyridine],4,5,6,7-tetrahydro-1,5-dimethyl-, hydrochloride (1:2)
N-(4-Chloro-3-cyano-6-methoxy-7-quinolinyl)acetamide
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
methyl 3-(pyrrolidin-1-ylsulfonyl)thiophene-2-carboxylate
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].
4-chloro-6-(4-methylphenyl)-2-(methylthio)pyrimidine-5-carbonitrile
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
2-[(6-Chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]benzonitrile
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
4-(CHLOROMETHYL)-5-METHYL-2-(4-(TRIFLUOROMETHYL)PHENYL)OXAZOLE
2-(CHLOROMETHYL)-5-(5-METHYL-3-PHENYLISOXAZOL-4-YL)-1,3,4-OXADIAZOLE
Ibafloxacin
C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
4-ALLYL-5-(4-ETHYL-PHENOXYMETHYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
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
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
(4S)-2-[3-(Difluoromethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
4-[[(4-FLUOROPHENYL)SULFONYL](METHYL)AMINO]BUTANOIC ACID
4-(BENZYLAMINO)-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID
3-piperidin-1-ylsulfonylthiophene-2-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
Methyldopate hydrochloride
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist
5-(4-DIETHYLAMINO-BENZYLIDENE)-2-THIOXO-IMIDAZOLIDIN-4-ONE
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
2-[(3-chlorophenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine
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
4-Amino-N-[(2-Sulfanylethyl)carbamoyl]benzenesulfonamide
(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
Meticrane
C - Cardiovascular system > C03 - Diuretics > C03B - Low-ceiling diuretics, excl. thiazides > C03BA - Sulfonamides, plain C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49185 - Thiazide Diuretic
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.
Lorcaserin sulfamate
Lorcaserin sulfamate is a metabolite of lorcaserin. Lorcaserin (APD-356, trade name Lorqess) is a weight-loss drug developed by Arena Pharmaceuticals. It has serotonergic properties and acts as an anorectic. On 22 December 2009 a New Drug Application (NDA) was submitted to the Food and Drug Administration (FDA) in the United States. On 16 September 2010, an FDA advisory panel voted to recommend against approval of the drug based on concerns over both safety and efficacy. (Wikipedia)
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
[4-[(2S)-2-azaniumyl-3-methoxy-3-oxopropyl]phenyl] sulfate
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
3-Ethylsulfanyl-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
(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-Furanyl(oxo)methyl]amino]-3-(3-methylphenyl)thiourea
acetic acid [3-oxo-2-(trifluoromethyl)-4H-1,4-benzoxazin-2-yl] ester
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
2-[[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]thio]-1-(1H-pyrrol-2-yl)ethanone
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
(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
Sodium;(4-aminophenyl)sulfonyl-(4-methyl-1,2-oxazol-3-yl)azanide
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
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.
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
