Exact Mass: 299.0671
Exact Mass Matches: 299.0671
Found 479 metabolites which its exact mass value is equals to given mass value 299.0671,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
8-Anilino-1-naphthalene sulfonate
8-Anilino-1-naphthalene sulfonate belongs to the class of organic compounds known as 1-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. KEIO_ID A177
phosphamidon
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
D-4'-Phosphopantothenate
D-4-Phosphopantothenate is a product of the enzyme pantothenate kinase [EC 2.7.1.33] and is involved in the pantothenate and CoA biosynthesis pathway (KEGG). D-4-Phosphopantothenate is an intermediate in coenzyme A (CoA) biosynthesis pathway. Coenzyme A is a cofactor of ubiquitous occurrence in plants, bacteria, and animals. It is needed in a large number of enzymatic reactions central to intermediary metabolism, including the oxidation of fatty acids, carbohydrates, and amino acids.
(Z)-N-Coumaroyl-5-hydroxyanthranilic acid
(Z)-N-Coumaroyl-5-hydroxyanthranilic acid is found in cereals and cereal products. (Z)-N-Coumaroyl-5-hydroxyanthranilic acid is isolated from oats (Avena sativa).
Imipenem
Semisynthetic thienamycin that has a wide spectrum of antibacterial activity against gram-negative and gram-positive aerobic and anaerobic bacteria, including many multiresistant strains. It is stable to beta-lactamases. Clinical studies have demonstrated high efficacy in the treatment of infections of various body systems. Its effectiveness is enhanced when it is administered in combination with cilastatin, a renal dipeptidase inhibitor. [PubChem] D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D013845 - Thienamycins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
6-Hydroxy-5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)benzothiazole
2,3,9,10-Tetrahydroxyberbine
A berberine alkaloid that is berbine substituted by hydroxy groups at positions 2, 3, 9 and 10.
7-Methylxanthosine
7-methylxanthosine is a member of the class of compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. 7-methylxanthosine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 7-methylxanthosine can be found in arabica coffee, which makes 7-methylxanthosine a potential biomarker for the consumption of this food product.
AZACONAZOLE
C254 - Anti-Infective Agent > C514 - Antifungal Agent CONFIDENCE standard compound; INTERNAL_ID 566; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8662; ORIGINAL_PRECURSOR_SCAN_NO 8657 CONFIDENCE standard compound; INTERNAL_ID 566; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8706; ORIGINAL_PRECURSOR_SCAN_NO 8705 CONFIDENCE standard compound; INTERNAL_ID 566; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8723; ORIGINAL_PRECURSOR_SCAN_NO 8721 ORIGINAL_PRECURSOR_SCAN_NO 8757; ORIGINAL_ACQUISITION_NO 8758; CONFIDENCE standard compound; INTERNAL_ID 566; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0 CONFIDENCE standard compound; INTERNAL_ID 566; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8758; ORIGINAL_PRECURSOR_SCAN_NO 8757 CONFIDENCE standard compound; INTERNAL_ID 566; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8758; ORIGINAL_PRECURSOR_SCAN_NO 8756 CONFIDENCE standard compound; INTERNAL_ID 566; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8772; ORIGINAL_PRECURSOR_SCAN_NO 8771
fenbendazole
P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents > P02CA - Benzimidazole derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent CONFIDENCE standard compound; INTERNAL_ID 1062 Fenbendazole is an orally active benzimidazole anthelmintic agent, with a broad antiparasitic range. Fenbendazole is a microtubule destabilizing agent and acts on helminthes primarily by binding to tubulin and disrupting the tubulin microtubule equilibrium. Fenbendazole stabilizes the transcriptional activator HIF-1α. Fenbendazole possesses an efficient anti-proliferative activity and induces apoptosis. Fenbendazole causes cell-cycle arrest and mitotic cell death, and has antitumor activity in mice xenografted with wild-type p53[1].
chlordiazepoxide
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; EAWAG_UCHEM_ID 3617 CONFIDENCE standard compound; INTERNAL_ID 1542
N-trans-p-Coumaroyloctopamine
Alkaloid from roots of bell pepper (Capsicum annuum variety grossum). N-trans-p-Coumaroyloctopamine is found in many foods, some of which are orange bell pepper, herbs and spices, eggplant, and red bell pepper. N-trans-p-Coumaroyloctopamine is found in eggplant. N-trans-p-Coumaroyloctopamine is an alkaloid from roots of bell pepper (Capsicum annuum var. grossum). N-trans-p-coumaroyloctopamine is a member of styrenes. N-trans-p-coumaroyloctopamine is a phenylpropanoid amide isolated from eggplant (Solanum melongena L.)[1]. N-trans-p-coumaroyloctopamine is a phenylpropanoid amide isolated from eggplant (Solanum melongena L.)[1].
N-cis-Caffeoyltyramine
N-cis-Caffeoyltyramine is a member of catechols. n-Caffeoyltyramine is a natural product found in Lycium chinense, Limoniastrum guyonianum, and other organisms with data available. See also: Tobacco Leaf (part of); Cannabis sativa subsp. indica top (part of); Cocoa (part of) ... View More ... N-cis-Caffeoyltyramine is found in fruits. N-cis-Caffeoyltyramine is an alkaloid from stems of cherimoya (Annona cherimola). Alkaloid from stems of cherimoya (Annona cherimola). N-cis-Caffeoyltyramine is found in fruits. N-TRANS-CaffeoyLtyramine is an effective inflammatory response regulator, which has antioxidant activity and anticoagulation effects[1]. N-TRANS-CaffeoyLtyramine is an effective inflammatory response regulator, which has antioxidant activity and anticoagulation effects[1].
Fenbendazole
Veterinary anthelmintic. Fenbendazole is a fda approved for use in cattle, pigs and goats Fenbendazole (Hoechst brand names Panacur and Safe-Guard, Intervet Panacur and Panacur Rabbit) is a broad spectrum benzimidazole anthelmintic used against gastrointestinal parasites including roundworms, hookworms, whipworms, the taenia species of tapeworms, pinworms, aelurostrongylus, paragonimiasis, strongyles and strongyloides and can be administered to sheep, cattle, horses, fish, dogs, cats, rabbits and seals. Drug interactions may occur if using bromsalan flukicides (Dibromsalan, Tribromsalan). Abortions in cattle and death in sheep have been reported after using these medications together. (Plumbs Veterinary Drug Handbook, Fifth Edition. 2005 P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents > P02CA - Benzimidazole derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent Fenbendazole is an orally active benzimidazole anthelmintic agent, with a broad antiparasitic range. Fenbendazole is a microtubule destabilizing agent and acts on helminthes primarily by binding to tubulin and disrupting the tubulin microtubule equilibrium. Fenbendazole stabilizes the transcriptional activator HIF-1α. Fenbendazole possesses an efficient anti-proliferative activity and induces apoptosis. Fenbendazole causes cell-cycle arrest and mitotic cell death, and has antitumor activity in mice xenografted with wild-type p53[1].
8-Hydroxyguanosine
8-hydroxyguanosine (8-OHG) is a marker for measuring the rate of oxidative damage to nucleic acids and lipids. Production of reactive oxygen species (ROS) damage proteins, lipid membranes, and nucleic acids (DNA and RNA), all critical functional components of living cells. The progressive accumulation of unrepaired free radical damage over time is believed to be a major contributor to the aging process and to a variety of age-related chronic diseases. Generation of most free radicals is a side effect of normal metabolic processes, especially mitochondrial production of ROS, including superoxide anion, hydrogen peroxide, and hydroxyl radical, coincident to oxidative metabolism. (PMID 14607529). 8-OHG (marker of oxidative damage to RNA) was found in the cerebral cortex in three of six cases of neuropathologically examined autopsy of subacute sclerosing panencephalitis patients. Subacute sclerosing panencephalitis is caused by persistent brain infection of mutated measles virus, showing inflammation, neuronal loss, and demyelination. (PMID 12546425). The concentration of 8-OHG in CSF in Parkinsons disease (PD) patients is approximately three-fold that in controls. The concentration of 8-OHG in CSF decreased significantly with the duration of disease. However, the concentration of 8-OHG in serum was not significantly altered in PD patients compared to that in controls. (PMID 12499051). 8-hydroxyguanosine (8-OHG) is a marker for measuring the rate of oxidative damage to nucleic acids and lipids. Production of reactive oxygen species (ROS) damage proteins, lipid membranes, and nucleic acids (DNA and RNA), all critical functional components of living cells. The progressive accumulation of unrepaired free radical damage over time is believed to be a major contributor to the aging process and to a variety of age-related chronic diseases. Generation of most free radicals is a side effect of normal metabolic processes, especially mitochondrial production of ROS, including superoxide anion, hydrogen peroxide, and hydroxyl radical, coincident to oxidative metabolism. (PMID 14607529) D007155 - Immunologic Factors 8-Hydroxyguanosine, an oxidized nucleoside, is a marker of RNA oxidative damage and oxidative stress. 8-Hydroxyguanosine stimulates proliferation and differentiation of B cells[1][2][3]. 8-Hydroxyguanosine, an oxidized nucleoside, is a marker of RNA oxidative damage and oxidative stress. 8-Hydroxyguanosine stimulates proliferation and differentiation of B cells[1][2][3].
Chlordiazepoxide
Chlordiazepoxide is only found in individuals that have used or taken this drug. It is an anxiolytic benzodiazepine derivative with anticonvulsant, sedative, and amnesic properties. It has also been used in the symptomatic treatment of alcohol withdrawal. [PubChem]Chlordiazepoxide binds to stereospecific benzodiazepine (BZD) binding sites on GABA (A) receptor complexes at several sites within the central nervous system, including the limbic system and reticular formation. This results in an increased binding of the inhibitory neurotransmitter GABA to the GABA(A) receptor.BZDs, therefore, enhance GABA-mediated chloride influx through GABA receptor channels, causing membrane hyperpolarization. The net neuro-inhibitory effects result in the observed sedative, hypnotic, anxiolytic, and muscle relaxant properties. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
N-Acetoxymethylflindersine
N-Acetoxymethylflindersine is found in fruits. N-Acetoxymethylflindersine is an alkaloid from leaves of Zanthoxylum simulans (Szechuan pepper). Alkaloid from leaves of Zanthoxylum simulans (Szechuan pepper). N-Acetoxymethylflindersine is found in herbs and spices and fruits.
beta-D-Glucopyranosyl anthranilate
beta-D-Glucopyranosyl anthranilate is found in fruits. beta-D-Glucopyranosyl anthranilate is a constituent of the fruit of pi~nuela Bromelia plumieri.
Marshdine
Marshdine is found in citrus. Marshdine is an alkaloid from roots of marsh grapefruit Citrus paradisi (Rutaceae). Alkaloid from roots of marsh grapefruit Citrus paradisi (Rutaceae). Marshdine is found in citrus.
Avenanthramide 1c
Avenanthramide 1c is a polyphenol compound found in foods of plant origin (PMID: 20428313)
Avenanthramide G
Avenanthramide G is found in cereals and cereal products. Avenanthramide G is a stress metabolite in oats (Avena sativa) induced by Victorin M
1-Chloro-diethylcarbamoyl-1-propen-2-yl dimethyl phosphate
8-Oxoguanosine
Besifovir
C254 - Anti-Infective Agent > C281 - Antiviral Agent
Creatinine citrate
5-Amino-N'-[2-(2-chlorophenyl)ethyl]-N-cyanopyridine-3-carboximidamide
Phosphocreatine lactate
alpha-Cephalin
Alpha-cephalin, also known as alpha-cephalin, is a member of the class of compounds known as phosphatidylethanolamines. Phosphatidylethanolamines are glycerophosphoetahnolamines in which two fatty acids are bonded to the glycerol moiety through ester linkages. Alpha-cephalin is soluble (in water) and a moderately acidic compound (based on its pKa). Alpha-cephalin can be found in flaxseed and peanut, which makes alpha-cephalin a potential biomarker for the consumption of these food products. Alpha-cephalin, also known as α-cephalin, is a member of the class of compounds known as phosphatidylethanolamines. Phosphatidylethanolamines are glycerophosphoetahnolamines in which two fatty acids are bonded to the glycerol moiety through ester linkages. Alpha-cephalin is soluble (in water) and a moderately acidic compound (based on its pKa). Alpha-cephalin can be found in flaxseed and peanut, which makes alpha-cephalin a potential biomarker for the consumption of these food products.
Salicylic acid 2-beta-D-glucoside
Salicylic acid 2-beta-d-glucoside, also known as 2-O-β-glucopyranosylsalicylic acid or sag, is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Salicylic acid 2-beta-d-glucoside is soluble (in water) and a weakly acidic compound (based on its pKa). Salicylic acid 2-beta-d-glucoside can be found in common thyme, rosemary, sweet basil, and sweet marjoram, which makes salicylic acid 2-beta-d-glucoside a potential biomarker for the consumption of these food products.
8-(acetylamino)-5,6,7,8-tetrahydro-6,7-dihydroxy-5-(hydroxymethyl)imidazo[1 ,2-a]pyridine-2-acetic acid
1-methyl-2,3,5,5a,12b,12c-hexahydro[1,3]dioxolo[6,7]isochromeno[3,4-g]indol-7(1h)-one
2-(6-amino-8-sulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
2-acetamido-3-(2,3-dihydroxybenzoylthio)propanoic acid
1,2,4-Trimethoxy-10-methyl-10H-acridin-9-on|1,2,4-trimethoxy-10-methyl-10H-acridin-9-one|1,3,4-Trimethoxy-N-methyl-acridon
O1-(4-methylamino-phenyl)-beta-D-glucopyranuronic acid|O1-(4-Methylamino-phenyl)-beta-D-glucopyranuronsaeure
7-(2,3-Epoxy-3-methylbutoxy)-4-methoxyfuro[2,3-b]quinoline
4-(5,6,7,8-Tetrahydro-[1,3]dioxolo[4,5-g]isochinolin-5-ylmethyl)-brenzcatechin|4-(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl)-benzene-1,2-diol|4-(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl)-pyrocatechol|Norcinnamolaurine
1-(2-Carboxy-phenylamino)-1-desoxy-D-fructose|1-<2-Carboxy-anilino>-1-desoxy-fructose|N-(1-deoxy-D-fructose-1-yl)-anthranilic acid|N-(1-Desoxy-D-fructose-1-yl)-anthranilsaeure
Kresoxim-methyl acid
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3463
Adenosine,7,8-dihydro-8-thioxo-
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.330 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.332
Ticlopidine Hydrochloride
D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065689 - Cytochrome P-450 CYP2C19 Inhibitors C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent > C190801 - P2Y12 Inhibitor D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents Ticlopidine hydrochloride is an adenosine diphosphate (ADP) receptor inhibitor against platelet aggregation with IC50 of ~2 μM. Target: Adenosine diphosphate (ADP) Ticlopidine (trade name Ticlid) is an antiplatelet drug in the thienopyridine family. Ticlopidine hydrochloride inhibits platelet aggregation with IC50 of ~2 μM in men. Like clopidogrel, it is an adenosine diphosphate (ADP) receptor inhibitor. It is used in patients in whom aspirin is not tolerated, or in whom dual antiplatelet therapy is desirable. Because it has been reported to increase the risk of thrombotic thrombocytopenic purpura (TTP) and neutropenia, its use has largely been supplanted by the newer drug, clopidogrel, which is felt to have a much lower hematologic risk. Its niche role as an alternative in those patients who do not tolerate Clopidogrel has now been superdeded by Ticagrelor and Prasugrel. The usual dose is 250 mg twice daily by the oral route. Ticlopidine hydrochloride, when orally administered to rats, results in activation of basal and prostaglandin E1 (PGE1)-stimulated adenylate cylase activity through increase in affinity of the cyclase in platelet membrane to PGE1, although it failed to affect adenosine- or sodium fluoride-stimulated activity of the enzyme.
N-[3-(3,4-Dihydroxy-phenyl)-acryloyl]-2-hydroxy-benzamide
5-hydroxy-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid
(E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
(2e)-3-(3,4-Dihydroxyphenyl)-N-[2-(4-Hydroxyphenyl)ethyl]acrylamide
CP-607366
CONFIDENCE standard compound; INTERNAL_ID 1322; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8103; ORIGINAL_PRECURSOR_SCAN_NO 8101 CONFIDENCE standard compound; INTERNAL_ID 1322; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8111; ORIGINAL_PRECURSOR_SCAN_NO 8107 CONFIDENCE standard compound; INTERNAL_ID 1322; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8129; ORIGINAL_PRECURSOR_SCAN_NO 8127 CONFIDENCE standard compound; INTERNAL_ID 1322; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8133; ORIGINAL_PRECURSOR_SCAN_NO 8131 CONFIDENCE standard compound; INTERNAL_ID 1322; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8132; ORIGINAL_PRECURSOR_SCAN_NO 8131 CONFIDENCE standard compound; INTERNAL_ID 1322; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8150; ORIGINAL_PRECURSOR_SCAN_NO 8149
PC(2:0/0:0)
PC(2:0/0:0)[U]
PC(0:0/2:0)
PC(0:0/2:0)[U]
8-Oxoguanosine
8-Hydroxyguanosine, an oxidized nucleoside, is a marker of RNA oxidative damage and oxidative stress. 8-Hydroxyguanosine stimulates proliferation and differentiation of B cells[1][2][3]. 8-Hydroxyguanosine, an oxidized nucleoside, is a marker of RNA oxidative damage and oxidative stress. 8-Hydroxyguanosine stimulates proliferation and differentiation of B cells[1][2][3].
N-p-coumaroyloctopamine
N-trans-p-coumaroyloctopamine is a phenylpropanoid amide isolated from eggplant (Solanum melongena L.)[1]. N-trans-p-coumaroyloctopamine is a phenylpropanoid amide isolated from eggplant (Solanum melongena L.)[1].
6,7-diethoxy-2-methyl-1H-benz[de]isoquinoline-1,3(2H)-dione
cis-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole-1-one
benzyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate
2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
(S)-[1-(4-BROMOPHENYL)ETHYL]CARBAMIC ACID TERT-BUTYL ESTER
3-(DIMETHYLCARBAMOYL)-5-METHOXY-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
ETHYL 2-(CHLOROMETHYL)-4-METHYLQUINOLINE-3-CARBOXYLATE HYDROCHLORIDE
Benz[5,6]isoindolo[2,1-b]isoquinoline-8,13-dione,5,14-dihydro-
ETHYL 3-(4-BROMO-PHENYL)-2-METHYLAMINOMETHYL-PROPIONATE
ETHYL 3-(3-BROMO-PHENYL)-2-METHYLAMINOMETHYL-PROPIONATE
3-(ETHYLCARBAMOYL)-5-METHOXY-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
3-AMINO-3-(10-CHLORO-ANTHRACEN-9-YL)-PROPIONIC ACID
3-AMINO-3-[5-(2-TRIFLUOROMETHYLPHENYL)-FURAN-2-YL]-PROPIONIC ACID
6-Thioguanosine
D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents 6-Thioguanosine (6-Mercaptoguanosine), an active nucleoside, is an Azathioprine metabolite. 6-Thioguanosine has immunosuppressive effects[1].
3-(4-NITRO-PHENYL)-2-THIOXO-2,3-DIHYDRO-1H-QUINAZOLIN-4-ONE
methyl 1-(5-bromopyrimidin-2-yl)piperidine-4-carboxylate
6-CHLORO-2-(4-HYDROXY-PHENYL)-QUINOLINE-4-CARBOXYLIC ACID
（s）-1-benzyl-2-methyl-4，4-difluoropyrrolidine-1，2-dicarb
2-((tert-Butoxycarbonyl)amino)-3-(4-chlorophenyl)propanoic acid
Ethyl 1-ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate
5-AMINO-1-[4-(FLUOROMETHYL)PHENYL]-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
1-(pyridin-3-ylmethyl)piperidin-3-amine(SALTDATA: 3HCl 0.7H2O 0.05(C2H5)2O)
2-[[(3,5-Dimethyl-2-pyridinyl)Methyl]thio]-6-Methoxy-1H-benzimidazole
(2-naphthoxy)acetic acid n-hydroxysuccinimide ester
1,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-4-[4-(TRIFLUOROMETHYL)PHENYL]-3-PYRIDINECARBOX
methyl 4-hydroxyimino-6,6-dimethyl-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate
4-[4-(1-Hydroxyethyl)-2-methoxy-5-nitrophenoxy]butanoic Acid
(E)-2-chloro-3-dimethoxyphosphoryloxy-N,N-diethyl-but-2-enamide
2-[(1,1-dioxothiolan-3-yl)amino]-3-(4-hydroxyphenyl)propanoic acid
1-(8-methyl-6-oxo-[1,3]dioxolo[4,5-g]chromen-7-yl)pyrrole-2,5-dione
ethyl 4-(methoxyimino)-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate
2,6-Diamino-4-(4-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile
N-[3-(1-IMidazolyl)propyl]-4-chlorobenzenesulfonamide
2-[5-(2-Amino-phenyl)-tetrazol-2-yl]-N-(5-methyl-isoxazol-3-yl)-acetamide
Aconiazide
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent
2-[5-(4-Amino-phenyl)-tetrazol-2-yl]-N-(5-methyl-isoxazol-3-yl)-acetamide
trans-(+/-)-11-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one
gemcitabine hydrochloride
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2150 - Ribonucleotide Reductase Inhibitor D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents Gemcitabine Hydrochloride (LY 188011 Hydrochloride) is a pyrimidine nucleoside analog antimetabolite and an antineoplastic agent. Gemcitabine Hydrochloride inhibits DNA synthesis and repair, resulting in autophagyand apoptosis[1][2].
4-(chloromethyl)-5-methyl-2-(4-phenoxyphenyl)-1,3-oxazole
2,6-diamino-4-(2-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile
((1-((6-AMINO-9H-PURIN-9-YL)METHYL)CYCLOPROPOXY)METHYL)PHOSPHONIC ACID
ethyl 5-amino-1-(2,4-dichlorophenyl)pyrazole-4-carboxylate
6-CHLORO-2-(2-HYDROXY-PHENYL)-QUINOLINE-4-CARBOXYLIC ACID
1-(2-METHOXYETHYL)-7-PHENYL-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
1,1,1,3,3,3-hexafluoro-2-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ol
1-METHYL-4-(3-(METHYLSULFONYL)-5-NITROPHENYL)PIPERAZINE
Thienamycin p-nitrobenzylester hydrochloride (N-methylpyrrolidinonesolvate)
4-[(2,3-DIHYDRO-1,4-BENZODIOXIN-2-YLCARBONYL)AMINO]BENZENECARBOXYLIC ACID
N4-Ac-2-OMe-rC
N4-Acetyl-2'-O-methylcytidine (ac4Cm) is an RNA with dual acetylation and methoxidation modifications found in thermophilic archaea. N4-Acetyl-2'-O-methylcytidine has been implicated in the adaptability of archaea in extreme environments, enhancing RNA stability through dual modification[1].
4,6-diamino-1-(4-chlorophenyl)-2-oxo-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile
2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]acetic acid
2-chloro-5-(5,6-dimethyl-1H-indol-2-yl)benzoic acid
4-(1-{[(Benzyloxy)carbonyl]amino}ethyl)benzoic acid
BENZYL (BENZO[D][1,3]DIOXOL-5-YLMETHYL)(METHYL)CARBAMATE
6-Amino-5-sulfamoylpyridine-3-boronic acid pinacol ester
tert-Butyl 2-(methylsulfonyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
2-cyclopropyl formamidoimidazole-5-chloro benzophenone
2-Amino-6-phthalimido-4,5,6,7-tetrahydrobenzothiazole
(1R,2R,3S)-2-hydroxymethyl-3-(3,4-dichlorophenyl)-tropane
(4-BROMO-BENZYL)-METHYL-CARBAMIC ACID TERT-BUTYL ESTER
(5-(N-cyclopentylsulfamoyl)-2-Methoxyphenyl)boronic acid
N-(4-broMo-3-fluorobenzyl)-N-MethylcyclohexanaMine
1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, 11-chloro-2,3,3a,12b-tetrahydro-2-Methyl-, (3aR,12bS)-rel-
(4S)-4-Phenyl-1,2,3-oxathiazolidine-2,2-dioxide-3-carboxylic acid t-butyl ester, min. 97\\%
3-[(3-nitrophenyl)methyl]-7,8-dihydro-6H-chromene-2,5-dione
(Z)-2-Methoxy-5-(2-(7-Methoxy-Benzo[D][1,3]Dioxol-5-Yl)Vinyl)Aniline
2,6-diamino-4-(3-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile
Pyridine, 3-bromo-2-(4-methyl-1-piperidinyl)-5-nitro-
5-AMINO-1-[5-(FLUOROMETHYL)PHENYL]-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
Diethyl 2-acetamido-2-(2,2,2-trifluoroethyl)malonate
(4-Methoxy-3-(piperidin-1-ylsulfonyl)phenyl)boronic acid
4-OXO-3-PHENETHYL-10-OXA-3-AZA-TRICYCLO[5.2.1.0(1,5)]DEC-8-ENE-6-CARBOXYLIC ACID
Carbamic acid,(2,4-dinitrophenoxy)-, 1,1-dimethylethyl ester (9CI)
N-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIMIDIN-2-YL)METHANESULFONAMIDE
Ethyl 2-(1H-benzimidazol-2-ylamino)-6-oxo-1,6-dihydro-5-pyrimidin ecarboxylate
(E)-N-(3,4-DIHYDROXYPHENETHYL)-3-(4-HYDROXYPHENYL)ACRYLAMIDE
[1-(4-BROMO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER
Durlobactam sodium
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D065093 - beta-Lactamase Inhibitors C254 - Anti-Infective Agent > C258 - Antibiotic D004791 - Enzyme Inhibitors
Traxanox
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D018501 - Antirheumatic Agents > D006074 - Gout Suppressants > D014528 - Uricosuric Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
4-chloro-N-(1,2-dimethyl-5-benzimidazolyl)benzamide
4-Amino-5-oxo-1-(p-sulphophenyl)-2-pyrazoline-3-carboxylic acid
1,3-Dimethyl-7,9-dihydrospiro[indole-3,8-purine]-2,2,6(1h,1h,3h)-trione
4-[(2,4-difluoroanilino)methylidene]-3-phenyl-1H-pyrazol-5-one
3-(2,5-dioxopyrrolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
4-amino-N-(2-oxolanylmethyl)-3-prop-2-enyl-2-sulfanylidene-5-thiazolecarboxamide
Prop-2-En-1-Yl (2s)-2-[(2s,3r)-3-(Acetyloxy)-1-Oxobutan-2-Yl]-2,3-Dihydro-1,3-Thiazole-4-Carboxylate
beta-D-Glucopyranosyl anthranilate
beta-D-Glucopyranosyl anthranilate is found in fruits. beta-D-Glucopyranosyl anthranilate is a constituent of the fruit of pi~nuela Bromelia plumieri. Constituent of the fruit of pi~nuela Bromelia plumieri. Glucopyranosyl anthranilate is found in fruits and corn.
2-Chloro-3-(diethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate
Kaempferide(1-)
Conjugate base of kaempferide arising from selective deprotonation of the 3-hydroxy group.
4,5-Dihydroxy-3-methoxyflavon-7-olate(1-)
A flavonoid oxoanion that is the conjugate base of 4,5,7-trihydroxy-3-methoxyflavone arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3.
N-acetyl-D-glucosamine 6-phosphate(2-)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
4-(beta-D-glucosyloxy)benzoate
A benzoate resulting from the removal of a proton from the carboxylic acid group of 4-(beta-D-glucosyloxy)benzoic acid.
trimethyl-[2-(4-phosphonooxy-1H-indol-3-yl)ethyl]azanium
Peonidin(1-)
An organic anion obtained by selective deprotonation of the 3- and 5-hydroxy groups of peonidin; major species at pH 7.3.
8-hydroxyguanosine
D007155 - Immunologic Factors 8-Hydroxyguanosine, an oxidized nucleoside, is a marker of RNA oxidative damage and oxidative stress. 8-Hydroxyguanosine stimulates proliferation and differentiation of B cells[1][2][3]. 8-Hydroxyguanosine, an oxidized nucleoside, is a marker of RNA oxidative damage and oxidative stress. 8-Hydroxyguanosine stimulates proliferation and differentiation of B cells[1][2][3].
9-Hydroxy-15-methyl-6,12,13-trioxa-3,5,15-triazatricyclo[7.3.2.11,4]pentadec-4-ene-2,7,11,14-tetrone
2-Deoxy-2,2-difluorocytidine monohydrochloride
D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents
Ticlid
D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065689 - Cytochrome P-450 CYP2C19 Inhibitors D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents
N-acetyl-D-mannosamine 6-phosphate(2-)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3-(5-Cycloheptylidene-4-oxo-2-sulfanylidene-3-thiazolidinyl)propanoic acid
[2-[benzyl(methyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
(E)-1-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylprop-2-en-1-one
N-(3-{4-nitrophenyl}-2-propenylidene)-3-methyl-1H-pyrazole-5-carbohydrazide
2-thiophenecarboxylic acid (6-methyl-2-oxo-1H-quinolin-3-yl)methyl ester
N-[1-[(4-fluorophenyl)methyl]-3-pyrazolyl]-5-methyl-2-furancarboxamide
N-(1-tert-butyl-5-benzimidazolyl)-2-thiophenecarboxamide
1-Butyl-3-[[oxo-(5-propan-2-yl-3-thiophenyl)methyl]amino]thiourea
Tazobactam(1-)
A penicillinate anion that is the conjugate base of tazobactam, obtained by deprotonation of the carboxy group.
N-(1,3-benzodioxol-5-yl)-2-(2,4-dimethylphenoxy)acetamide
6-methyl-2-[(4-nitrophenyl)methylthio]-1H-benzimidazole
2,5-Dimethyl-3-furancarboxylic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester
(4-nitrophenyl) (1E)-2-oxo-N-phenylpropanehydrazonate
3-Methoxy-2-(3-pyridinylmethylthio)-4-quinazolinone
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-cyclopropyl-3-isoxazolecarboxamide
2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]thio]acetic acid methyl ester
5-[(2-chlorophenyl)hydrazo]-3,3-bis(hydroxymethyl)-2H-1,4-oxazin-6-one
(4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
3-(2-methylphenyl)-2-(2-thiazolyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
5-[(2-hydroxy-3-quinolinyl)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
(4Z)-2-(4-chlorophenyl)-4-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-oxazol-5-one
1-(2-methoxyphenyl)-3-[(E)-(3-methylphenyl)methylideneamino]thiourea
5-methyl-4-phenyl-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-thiazole
2-amino-9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purine-6-thione
2-(4-Dimethylaminophenyl)-3-(2-pyridyl)thiazolidin-4-one
4-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine
(5R,6R)-3-[2-(aminomethylideneamino)ethylthio]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
(2S,3S,4S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
(2R,3R,4R)-1-(4,5-dimethyl-2-thiazolyl)-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
(2R,3S,4R)-1-(4,5-dimethyl-2-thiazolyl)-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
Diosmetin-7-olate
A flavonoid oxoanion obtained by deprotonation of the 7-hydroxy group of diosmetin; major microspecies at pH 7.3.
7-(dimethylamino)-3,4-dioxo-10H-phenoxazine-1-carboxamide
(NZ)-N-[3-(3-nitrophenyl)-1,4-benzothiazin-2-ylidene]hydroxylamine
[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino] 3-chlorobenzoate
N-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2-hydroxybenzamide
[3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] pentanoate
N-trans-p-Coumaroyloctopamine
Alkaloid from roots of bell pepper (Capsicum annuum variety grossum). N-trans-p-Coumaroyloctopamine is found in many foods, some of which are orange bell pepper, herbs and spices, eggplant, and red bell pepper. N-trans-p-Coumaroyloctopamine is found in eggplant. N-trans-p-Coumaroyloctopamine is an alkaloid from roots of bell pepper (Capsicum annuum var. grossum). N-trans-p-coumaroyloctopamine is a member of styrenes. N-trans-p-coumaroyloctopamine is a phenylpropanoid amide isolated from eggplant (Solanum melongena L.)[1]. N-trans-p-coumaroyloctopamine is a phenylpropanoid amide isolated from eggplant (Solanum melongena L.)[1].
Imipenem
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D013845 - Thienamycins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams A broad-spectrum, intravenous beta-lactam antibiotic of the carbapenem subgroup. C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
N-acetyl-D-glucosamine 6-phosphate(2-)
Dianion of N-acetyl-D-glucosamine 6-phosphate arising from deprotonation of both OH groups of the phosphate.
N-acetyl-alpha-D-glucosamine 1-phosphate(2-)
Dianion of N-acetyl-alpha-D-glucosamine 1-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3.
6-Hydroxy-5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)benzothiazole
2-acetyl-sn-glycero-3-phosphocholine
A 2-acyl-sn-glycero-3-phosphocholine in which the acyl group at position 2 is specified as acetyl.
1-(4-sulfophenyl)-3-carboxy-4-amino-5-oxopyrazole
A 4,5-dihydropyrazole having p-sulfophenyl-, carboxy-, amino- and oxo substituents at the 1-, 3-, 4- and 5-positions respectively.
2-(beta-D-glucopyranosyloxy)benzoate
A benzoate resulting from the removal of a proton from the carboxylic acid group of 2-(beta-D-glucopyranosyloxy)benzoic acid.
(R)-4-Phosphopantothenic acid
An amidoalkyl phosphate that is the 4-phosphate derivative of (R)-pantothenic acid.
N-acetyl-D-mannosamine 6-phosphate(2-)
An organophosphate oxoanion resulting from the removal of both protons from the phosphate group of N-acetyl-D-mannosamine 6-phosphate.
N-acetyl-alpha-D-galactosamine 1-phosphate(2-)
An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of N-acetyl-alpha-D-galactosamine 1-phosphate; major species at pH 7.3.
N-acetyl-beta-D-glucosamine 6-phosphate(2-)
Dianion of N-acetyl-beta-D-glucosamine 6-phosphate.
1beta-methylseleno-N-acetyl-D-galactosamine
A monosaccharide derivative that is N-acetyl-beta-D-galactosamine in which the anomeric hydroxy group is replaced by a methylseleno group.
5-Azidomethyl-uridine
5-Azidomethyl-uridine is a click chemistry reagent containing an azide group.The azide function is widely used for coupling to alkyne-containing fragments via the renowned Click reaction[1]. 5-Azidomethyl-uridine is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. Strain-promoted alkyne-azide cycloaddition (SPAAC) can also occur with molecules containing DBCO or BCN groups.
Pifithrin-α, p-Nitro, Cyclic
Pifithrin-α, p-Nitro, Cyclic (PFN-α) is cell-permeable and active-form p53 inhibitor. Pifithrin-α, p-Nitro, Cyclic is one order magnitude more active than Pifithrin-α in protecting cortical neurons exposed to Etoposide (ED50=30 nM). Pifithrin-α, p-Nitro, Cyclic behaves as a p53 posttranscriptional activity inhibitor. Pifithrin-α, p-Nitro, Cyclic do not prevent p53 phosphorylation on the S15 residue[1][2].
(2s,3r,7r,10r)-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁵,¹⁹]icosa-1(20),8,13,15(19)-tetraen-12-one
13-(dimethoxymethyl)-8-oxa-15-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(15),2,4,6,12(16),13-hexaen-4-ol
trimethyl({2-[4-(phosphonooxy)-1h-indol-3-yl]ethyl})azanium
6,10,20-triazapentacyclo[11.7.1.0²,⁷.0⁹,²¹.0¹⁴,¹⁹]henicosa-1,4,6,9,11,13(21),14(19),15,17-nonaene-3,8-dione
7,12-dihydroxy-4,5,5,14-tetramethyl-3-oxa-9-azatetracyclo[6.6.1.0²,⁶.0¹¹,¹⁵]pentadeca-1,6,8(15),11,13-pentaen-10-one
4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁵,¹⁹]icosa-1(20),7,13,15(19)-tetraen-12-one
(2e)-n-[(2r,3ar,7as)-3a-hydroxy-6-oxo-2,3,7,7a-tetrahydro-1-benzofuran-2-yl]-3-phenylprop-2-enimidic acid
2-[(4r)-16-methoxy-5,12-dioxa-10-azatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,10,13,15-hexaen-4-yl]propan-2-ol
(3ar,6r,7as)-3a,6-dihydroxy-1-(3-phenylprop-2-enoyl)-3,6,7,7a-tetrahydroindol-2-one
7-methoxy-3,11,21-triazapentacyclo[12.7.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
5,6,8,9-tetrahydro-1-hydro-4h-cyclopenta[ a]-[1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzaepin-2(3h)-one
{"Ingredient_id": "HBIN011120","Ingredient_name": "5,6,8,9-tetrahydro-1-hydro-4h-cyclopenta[ a]-[1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzaepin-2(3h)-one","Alias": "NA","Ingredient_formula": "C17H17NO4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21057","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
