Exact Mass: 447.1165406
Exact Mass Matches: 447.1165406
Found 274 metabolites which its exact mass value is equals to given mass value 447.1165406
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Aripiprazole
Aripiprazole is a warning has gone out recently because of this drugs name. The -prazole ending of this drug name makes this drug sound like it is one of the proton pump inhibitors (such as omeprazole, pantoprazole, lansoprazole) which are used in treating peptic ulcer disease. However, aripiprazole and these drugs are in an entirely different class of drugs altogether and confusing the two can lead to some unnecessary side effects. Aripiprazole is the sixth and most recent of the atypical antipsychotic medications to be approved by the Food and Drug Administration (FDA) for the treatment of schizophrenia. It has also recently received FDA approval for the treatment of acute manic and mixed episodes associated with bipolar disorder. Aripiprazole appears to mediate its antipsychotic effects primarily by partial agonism at the Dopamine 2 (D2)receptor. Aripiprazole is an atypical antipsychotic and antidepressant used in the treatment of schizophrenia, bipolar disorder, and clinical depression. OPC is found in chinese cinnamon. D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics Aripiprazole (OPC-14597), an atypical antipsychotic, is a potent and high-affinity dopamine D2 receptor partial agonist. Aripiprazole is an inverse agonist at 5-HT2B and 5-HT2A receptors and displays partial agonist actions at 5-HT1A, 5-HT2C, D3, and D4 receptors. Aripiprazole can be used for the research of schizophrenia and COVID19[1][2][3][4].
Cyflumetofen
C24H24F3NO4 (447.16573400000004)
D010575 - Pesticides > D056810 - Acaricides D016573 - Agrochemicals
ampiroxicam
C20H21N3O7S (447.11001560000005)
A benzothiazine that is the 1-[(ethoxycarbonyl)oxy]ethyl ether of piroxicam. A prodrug for piroxicam, it is used for the relief of pain and inflammation in musculoskeletal disorders such as rheumatoid arthritis and osteoarthritis. C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Se-Adenosylselenomethionine
Se-Adenosylselenomethionine is an intermediate in Selenoamino acid metabolism. Se-Adenosylselenomethionine is converted from Selenomethionine via the enzyme S-adenosylmethionine synthetase (EC 2.5.1.6). It is then. converted to Se-Adenosylselenohomocysteine via the enzyme Transferases (EC 2.1.1.-). Se-Adenosylselenomethionine is an intermediate in Selenoamino acid metabolism. Se-Adenosylselenomethionine is converted from Selenomethionine via the enzyme S-adenosylmethionine synthetase (EC 2.5.1.6). It is then
Peonidin 3-rhamnoside
Peonidin 3-rhamnoside is found in pulses. Peonidin 3-rhamnoside is isolated from legumes. Isolated from legumes. Peonidin 3-rhamnoside is found in pulses.
Pigment A aglycone
Pigment A aglycone is a polyphenol compound found in foods of plant origin (PMID: 20428313)
Ampiroxicam
C20H21N3O7S (447.11001560000005)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Amuvatinib
C23H21N5O3S (447.1365036000001)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163999 - cKIT-targeting Agent C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C159198 - c-KIT Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor
Ccris 6861
C20H21N3O9 (447.12777360000007)
D000970 - Antineoplastic Agents > D000903 - Antibiotics, Antineoplastic > D008937 - Mitomycins
Elvitegravir
C23H23ClFNO5 (447.12487100000004)
Methyl (2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate
C22H29N3O3S2 (447.16502440000005)
Normorphine 3-glucuronide
Petunidin 3-rhamnoside
Petunidin 3-rhamnoside is a member of the class of compounds known as anthocyanidin-3-o-glycosides. Anthocyanidin-3-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Petunidin 3-rhamnoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Petunidin 3-rhamnoside can be found in common bean, green bean, and yellow wax bean, which makes petunidin 3-rhamnoside a potential biomarker for the consumption of these food products.
cyanidin 5-O-beta-D-glucoside
C21H19O11- (447.09273240000005)
Cyanidin 5-o-beta-d-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Cyanidin 5-o-beta-d-glucoside can be found in a number of food items such as broad bean, rambutan, nopal, and garden onion, which makes cyanidin 5-o-beta-d-glucoside a potential biomarker for the consumption of these food products. Cyanidin 5-o-β-d-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Cyanidin 5-o-β-d-glucoside can be found in a number of food items such as broad bean, rambutan, nopal, and garden onion, which makes cyanidin 5-o-β-d-glucoside a potential biomarker for the consumption of these food products.
Luteolinidin 4-glucuronide
C21H19O11 (447.09273240000005)
Peonidin 3-rhamnoside
N1-[3-(Methylthio)phenyl]-2-{[3-cyano-4,6-dimethyl-5-(2-phenyldiaz-1-enyl)-2-pyridyl]thio}acetamide
O5-{4-[(Dipropylamino)sulfonyl]benzoyl}-1,3-benzodioxole-5-carbohydroximamide
C21H25N3O6S (447.14639900000003)
2-[[4-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-2-hydroxy-6-methylbenzoyl]amino]-3-hydroxybutanoic acid
(+)-Corynolin-11-O-sulfat|(+)-O-sulfooxy-corynoline|13-methyl-O-sulfooxy-chelidonine|sulfuric acid mono-((5bR)-5b,13-dimethyl-(5br,12bc)-5b,6,7,12b,13,14-hexahydro-[1,3]dioxolo[4,5-i][1,3]dioxolo[4,5:4,5]benzo[1,2-c]phenanthridin-6t-yl) ester
C21H21NO8S (447.09878260000005)
dichotomide VIII
C20H21N3O9 (447.12777360000007)
A natural product found in Stellaria dichotoma var. lanceolata.
Asp Gln Ala Asp
C16H25N5O10 (447.16013499999997)
[5-chloro-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-7-methyl-6,8-dioxo-2H-isoquinolin-7-yl] 3,5-dihydroxyhexanoate
C23H26ClNO6 (447.1448566000001)
Aripiprazole
An N-arylpiperazine that is piperazine substituted by a 4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy]butyl group at position 1 and by a 2,3-dichlorophenyl group at position 4. It is an antipsychotic drug used for the treatment of Schizophrenia, and other mood disorders. D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics Aripiprazole (OPC-14597), an atypical antipsychotic, is a potent and high-affinity dopamine D2 receptor partial agonist. Aripiprazole is an inverse agonist at 5-HT2B and 5-HT2A receptors and displays partial agonist actions at 5-HT1A, 5-HT2C, D3, and D4 receptors. Aripiprazole can be used for the research of schizophrenia and COVID19[1][2][3][4].
2-[[4-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-2-hydroxy-6-methylbenzoyl]amino]-3-hydroxybutanoic acid
Ala Asp Asp Gln
C16H25N5O10 (447.16013499999997)
Ala Asp Glu Asn
C16H25N5O10 (447.16013499999997)
Ala Asp Asn Glu
C16H25N5O10 (447.16013499999997)
Ala Asp Gln Asp
C16H25N5O10 (447.16013499999997)
Ala Glu Asp Asn
C16H25N5O10 (447.16013499999997)
Ala Glu Asn Asp
C16H25N5O10 (447.16013499999997)
Ala Asn Asp Glu
C16H25N5O10 (447.16013499999997)
Ala Asn Glu Asp
C16H25N5O10 (447.16013499999997)
Ala Gln Asp Asp
C16H25N5O10 (447.16013499999997)
Mefenamic acid Metabolite (b-D-Glucopyranuronic acid, 1-[2-[(3-carboxy-2-methylphenyl)amino]benzoate
Cys Asp Asn Pro
Cys Asp Pro Asn
Cys Asn Asp Pro
Cys Asn Pro Asp
Cys Pro Asp Asn
Cys Pro Asn Asp
Asp Ala Asp Gln
C16H25N5O10 (447.16013499999997)
Asp Ala Glu Asn
C16H25N5O10 (447.16013499999997)
Asp Ala Asn Glu
C16H25N5O10 (447.16013499999997)
Asp Ala Gln Asp
C16H25N5O10 (447.16013499999997)
Asp Cys Asn Pro
Asp Cys Pro Asn
Asp Asp Ala Gln
C16H25N5O10 (447.16013499999997)
Asp Asp Gln Ala
C16H25N5O10 (447.16013499999997)
Asp Glu Ala Asn
C16H25N5O10 (447.16013499999997)
Asp Glu Gly Gln
C16H25N5O10 (447.16013499999997)
Asp Glu Asn Ala
C16H25N5O10 (447.16013499999997)
Asp Glu Gln Gly
C16H25N5O10 (447.16013499999997)
Asp Gly Glu Gln
C16H25N5O10 (447.16013499999997)
Asp Gly Gln Glu
C16H25N5O10 (447.16013499999997)
Asp Asn Ala Glu
C16H25N5O10 (447.16013499999997)
Asp Asn Cys Pro
Asp Asn Glu Ala
C16H25N5O10 (447.16013499999997)
Asp Asn Pro Cys
Asp Pro Cys Asn
Asp Pro Asn Cys
Asp Gln Asp Ala
C16H25N5O10 (447.16013499999997)
Asp Gln Glu Gly
C16H25N5O10 (447.16013499999997)
Asp Gln Gly Glu
C16H25N5O10 (447.16013499999997)
Glu Ala Asp Asn
C16H25N5O10 (447.16013499999997)
Glu Ala Asn Asp
C16H25N5O10 (447.16013499999997)
Glu Asp Ala Asn
C16H25N5O10 (447.16013499999997)
Glu Asp Gly Gln
C16H25N5O10 (447.16013499999997)
Glu Asp Asn Ala
C16H25N5O10 (447.16013499999997)
Glu Asp Gln Gly
C16H25N5O10 (447.16013499999997)
Glu Glu Gly Asn
C16H25N5O10 (447.16013499999997)
Glu Glu Asn Gly
C16H25N5O10 (447.16013499999997)
Glu Gly Asp Gln
C16H25N5O10 (447.16013499999997)
Glu Gly Glu Asn
C16H25N5O10 (447.16013499999997)
Glu Gly Asn Glu
C16H25N5O10 (447.16013499999997)
Glu Gly Gln Asp
C16H25N5O10 (447.16013499999997)
Glu Asn Ala Asp
C16H25N5O10 (447.16013499999997)
Glu Asn Asp Ala
C16H25N5O10 (447.16013499999997)
Glu Asn Glu Gly
C16H25N5O10 (447.16013499999997)
Glu Asn Gly Glu
C16H25N5O10 (447.16013499999997)
Glu Gln Asp Gly
C16H25N5O10 (447.16013499999997)
Glu Gln Gly Asp
C16H25N5O10 (447.16013499999997)
Gly Asp Glu Gln
C16H25N5O10 (447.16013499999997)
Gly Asp Gln Glu
C16H25N5O10 (447.16013499999997)
Gly Glu Asp Gln
C16H25N5O10 (447.16013499999997)
Gly Glu Glu Asn
C16H25N5O10 (447.16013499999997)
Gly Glu Asn Glu
C16H25N5O10 (447.16013499999997)
Gly Glu Gln Asp
C16H25N5O10 (447.16013499999997)
Gly Asn Glu Glu
C16H25N5O10 (447.16013499999997)
Gly Gln Asp Glu
C16H25N5O10 (447.16013499999997)
Gly Gln Glu Asp
C16H25N5O10 (447.16013499999997)
Asn Ala Asp Glu
C16H25N5O10 (447.16013499999997)
Asn Ala Glu Asp
C16H25N5O10 (447.16013499999997)
Asn Cys Asp Pro
Asn Cys Pro Asp
Asn Asp Ala Glu
C16H25N5O10 (447.16013499999997)
Asn Asp Cys Pro
Asn Asp Glu Ala
C16H25N5O10 (447.16013499999997)
Asn Asp Pro Cys
Asn Glu Ala Asp
C16H25N5O10 (447.16013499999997)
Asn Glu Asp Ala
C16H25N5O10 (447.16013499999997)
Asn Glu Glu Gly
C16H25N5O10 (447.16013499999997)
Asn Glu Gly Glu
C16H25N5O10 (447.16013499999997)
Asn Gly Glu Glu
C16H25N5O10 (447.16013499999997)
Asn Pro Cys Asp
Asn Pro Asp Cys
Pro Cys Asp Asn
Pro Cys Asn Asp
Pro Asp Cys Asn
Pro Asp Asn Cys
Pro Asn Cys Asp
Pro Asn Asp Cys
Gln Ala Asp Asp
C16H25N5O10 (447.16013499999997)
Gln Asp Ala Asp
C16H25N5O10 (447.16013499999997)
Gln Asp Asp Ala
C16H25N5O10 (447.16013499999997)
Gln Asp Glu Gly
C16H25N5O10 (447.16013499999997)
Gln Asp Gly Glu
C16H25N5O10 (447.16013499999997)
Gln Glu Asp Gly
C16H25N5O10 (447.16013499999997)
Gln Glu Gly Asp
C16H25N5O10 (447.16013499999997)
Gln Gly Asp Glu
C16H25N5O10 (447.16013499999997)
Gln Gly Glu Asp
C16H25N5O10 (447.16013499999997)
Pigment A aglycone
2-(1-ethylpiperidin-1-ium-1-yl)ethyl 2-hydroxy-2,2-diphenylacetate,bromide
4-Nitrophenyl 2-O-(α-L-Fucopyranosyl)-α-D-galactopyranoside
Elvitegravir
C23H23ClFNO5 (447.12487100000004)
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AJ - Integrase inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent > C1660 - Anti-HIV Agent D004791 - Enzyme Inhibitors > D019429 - Integrase Inhibitors
2-Nitrophenyl2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-a-D-glucopyranoside
N-(5-TERT-BUTYL-ISOXAZOL-3-YL)-N-[4-(7-IMIDAZO[2,1-B][1,3]BENZOTHIAZOL-2-YL)PHENYL]UREA
C23H21N5O3S (447.1365036000001)
4SC-202
C23H21N5O3S (447.1365036000001)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
2-(4-AMINO-2-BUTOXYPYRIDIN-3-YL)-4-BROMO-N,N-DIISOPROPYLBENZAMIDE
1H-Benzimidazole,5,6-dimethyl-1-[[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]sulfonyl]-(9CI)
propantheline bromide
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents Propantheline bromide is an orally active mAChR antagonist. Propantheline bromide can be used in the research of smooth muscle dysfunction, excessive sweating, cramps or spasms of the stomach, intestines or bladder, and involuntary urination[1][2][3].
p-Nitrophenyl 2-O-(b-L-Fucopyranosyl)-b-D-galactopyranoside
N-(6-Amino-5-chloro-3-pyridinyl)-5-{[3-(2-cyano-2-propanyl)benzoy l]amino}-2-methylbenzamide
1-Hexyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide
(S)-N-(2,4-difluorobenzyl)-2-ethyl-9-hydroxy-1,8-dioxo-1,2,2,4,4,5,6,8-octahydrospiro[pyran-3,3-pyrido[1,2-a]pyrazine]-7-carboxamide
Ninhydrine, ozone friendly ready to use spray for TLC chromatography
3,6-Biscarboxymethyl-3,6-diaza-2-methyldithio-(2-pyridyl)octane-1,8-dicarboxylic AcidDiscontinued
(2R)-4-benzyl-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]morpholin-3-one
C21H19F6NO3 (447.1269056000001)
2-(5-Chloro-2-Thienyl)-N-{(3s)-1-[(1s)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}ethenesulfonamide
C17H22ClN3O5S2 (447.06893520000006)
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors D006401 - Hematologic Agents > D000925 - Anticoagulants > D000991 - Antithrombins
Decoglurant
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent Decoglurant (RO4995819) is a negative allosteric modulator of mGluR2 and mGluR3. Decoglurant is developed as an antidepressant[1].
Cetocycline hydrochloride
C22H22ClNO7 (447.10847320000005)
C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic
(Z)-3-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(3-morpholinopropyl)propanamide
C22H29N3O3S2 (447.16502440000005)
3-[N-(2-Carboxyethyl)methylamino]-7-[N-ethyl(3-sulfonatopropyl)amino]phenoxazin-5-ium
C21H25N3O6S (447.14639900000003)
[4-({6-[Allyl(methyl)amino]hexyl}oxy)-2-fluorophenyl](4-bromophenyl)methanone
5-O-(N-(L-Threonyl)-sulfamoyl)adenosine
C14H21N7O8S (447.11722660000004)
N-[(Furan-2-YL)carbonyl]-(S)-leucyl-(R)-[1-amino-2(1H-indol-3-YL)ethyl]-phosphonic acid
C21H26N3O6P (447.1559146000001)
(2S)-1-[4-({4-[(2,5-Dichlorophenyl)amino]pyrimidin-2-YL}amino)phenoxy]-3-(dimethylamino)propan-2-OL
N-(5-{[(2s)-4-Amino-2-(3-Chlorophenyl)butanoyl]amino}-1h-Indazol-3-Yl)benzamide
1-Menaphthyl Glutathione Conjugate
C21H25N3O6S (447.14639900000003)
(2R)-1-[4-({4-[(2,5-Dichlorophenyl)amino]pyrimidin-2-YL}amino)phenoxy]-3-(dimethylamino)propan-2-OL
Amuvatinib
C23H21N5O3S (447.1365036000001)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163999 - cKIT-targeting Agent C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C159198 - c-KIT Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor
5,7-difluoro-2-methyl-3-{4-[4-(trifluoromethoxy)phenoxy]phenyl}quinolin-4(1H)-one
Methyl (2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate
C22H29N3O3S2 (447.16502440000005)
kaempferol 3-O-beta-D-galactoside(1-)
C21H19O11- (447.09273240000005)
An organic anion obtained by selective deprotonation of the 7-hydroxy group of kaempferol 3-O-beta-D-galactoside; major species at pH 7.3.
Quercitrin-7-olate
C21H19O11- (447.09273240000005)
Conjugate base of quercitrin arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3.
cyanidin 3-O-beta-D-glucoside(1-)
C21H19O11- (447.09273240000005)
An organic anion obtained by deprotonation of the 5 and 7 positions of cyanidin 3-O-beta-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
kaempferol 3-O-beta-D-glucoside(1-)
C21H19O11- (447.09273240000005)
2-(4-Hydroxy-3-oxylatophenyl)-8-(beta-D-glucopyranosyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
C21H19O11- (447.09273240000005)
4-[5,7-dihydroxy-4-oxo-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-2-yl]-2-hydroxyphenolate
C21H19O11- (447.09273240000005)
D-glucuronosyl-2-methyl-4-(3-methyl-1,4-dioxonaphthalen-2-yl)butanoate
[(3S)-3-azaniumyl-3-carboxylatopropyl](5-deoxyadenosin-5-yl)(methyl)selenonium
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
N-[4-(4-methylphenyl)-2-thiazolyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide
ethyl 5-[(thien-2-ylacetyl)amino]-1-{2-[(thien-2-ylacetyl)oxy]ethyl}-1H-pyrazole-4-carboxylate
C20H21N3O5S2 (447.09225760000004)
2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-5-[(4-nitrobenzyl)oxy]phenol
C24H21N3O6 (447.14302860000004)
luteolin 7-O-beta-D-glucoside(1-)
C21H19O11- (447.09273240000005)
A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of luteolin 7-O-beta-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
cyanidin 3-O-beta-D-galactoside(1-)
C21H19O11- (447.09273240000005)
A phenolate anion obtained by deprotonation of the 5- and 7-hydroxy groups of cyanidin 3-O-beta-D-galactoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
4-[[4-(3-Methylanilino)-3,5-dinitrophenyl]-oxomethyl]-1,3-dihydroquinoxalin-2-one
2-[[(2-Methoxy-4-nitroanilino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid diethyl ester
C20H21N3O7S (447.11001560000005)
1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-furanylmethyl)-3-(2-methoxyphenyl)thiourea
3-(Methanesulfonamido)benzoic acid [1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl] ester
C21H25N3O6S (447.14639900000003)
(5aS,12aS,13aS)-9-bromo-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one
C21H23BrClN3O (447.07129180000004)
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide
C21H25N3O6S (447.14639900000003)
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-2-ylmethyl)acetamide
C21H25N3O6S (447.14639900000003)
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-2-ylmethyl)acetamide
C21H25N3O6S (447.14639900000003)
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-2-ylmethyl)acetamide
C21H25N3O6S (447.14639900000003)
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-2-ylmethyl)acetamide
C21H25N3O6S (447.14639900000003)
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
C21H25N3O6S (447.14639900000003)
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
C21H25N3O6S (447.14639900000003)
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
C21H25N3O6S (447.14639900000003)
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
C21H25N3O6S (447.14639900000003)
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
C21H25N3O6S (447.14639900000003)
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
C21H25N3O6S (447.14639900000003)
(1S,2aS,8bS)-4-benzoyl-N-(2-chlorophenyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
(1R,2aR,8bR)-4-benzoyl-N-(2-chlorophenyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
[(1R)-7-methoxy-2,9-dimethyl-1-thiophen-2-ylsulfonyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]methanol
[5-Chloro-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-6-hydroxy-7-methyl-8-oxoisoquinolin-7-yl] 3,5-dihydroxyhexanoate
C23H26ClNO6 (447.1448566000001)
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
C21H25N3O6S (447.14639900000003)
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
C21H25N3O6S (447.14639900000003)
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
C21H25N3O6S (447.14639900000003)
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
C21H25N3O6S (447.14639900000003)
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
C21H25N3O6S (447.14639900000003)
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
C21H25N3O6S (447.14639900000003)
(1S,2aR,8bR)-4-benzoyl-N-(2-chlorophenyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
(1R,2aS,8bS)-4-benzoyl-N-(2-chlorophenyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
[(1S)-7-methoxy-2,9-dimethyl-1-thiophen-2-ylsulfonyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]methanol
2-thio-N(6)-dimethylallyladenine 5-monophosphate
C15H22N5O7PS (447.09775120000006)
6-O-[5-hydroxy-3-(2-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-L-gulonate
C21H19O11- (447.09273240000005)
N-[3-(4-tert-butyl-1-pyridin-1-iumyl)-1,4-dioxo-2-naphthalenyl]benzenesulfonamide
C25H23N2O4S+ (447.13784580000004)
2-methoxyethyl (2S)-2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate
C24H24F3NO4 (447.16573400000004)
2-methoxyethyl (2R)-2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate
C24H24F3NO4 (447.16573400000004)
(1S,13S,15S)-6-bromo-7-chloro-12,12-dimethyl-10,19,21-triazahexacyclo[13.5.2.01,13.03,11.04,9.015,19]docosa-3(11),4,6,8-tetraen-22-one
C21H23BrClN3O (447.07129180000004)
Methyl 4-[1-(furan-2-ylmethyl)-3-(4-methoxybenzoyl)-4,5-dioxopyrrolidin-2-yl]benzoate
C25H21NO7 (447.13179560000003)
4-[(2,2-Dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)methyl]-N-[(E)-(3-oxocyclohexylidene)amino]benzamide
C24H21N3O4S (447.1252706000001)
2-[[4-(3-Ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]iminomethyl]propanedioic acid diethyl ester
ethyl 2-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate
C23H21N5O3S (447.1365036000001)
5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-olate
C21H19O11- (447.09273240000005)
L-adenosylselenomethionine
A selenomethionine consisting of L-selenomethionine having an adenosyl group attached to the selenium.
L-adenosylselenomethionine zwitterion
An organic cation that is the zwitterionic tautomer of L-adenosylselenomethionine arising from shift of the proton from the carboxy group to the amino group; major species at pH 7.3.
Glucosylceramide synthase-IN-2
C22H20F3N3O4 (447.14058360000007)
Glucosylceramide synthase-IN-2 (compound T-690) is a potent, brain-penetrant and orally active glucosylceramide synthase (GCS) inhibitor with IC50s of 15 nM and 190 nM for human GCS and mouse GCS, respectively.Glucosylceramide synthase-IN-2 exhibits noncompetitive type inhibition with C8-ceramide and UDP-glucose.Glucosylceramide synthase-IN-2 can be used for Gaucher's disease research[1].
VU533
C21H22FN3O3S2 (447.10865540000003)
APE-PLD (VU533) activator is a potent NAPE-PLD activator with an EC50 value of 0.30 μM. NAPE-PLD activator (VU533) can enhance NAPE-PLD activity and increase efferocytosis by macrophages. NAPE-PLD activator (VU533) can be used for cardiometabolic diseases research[1].
VU534
C21H22FN3O3S2 (447.10865540000003)
VU534 is a NAPE-PLD activator, with an EC50 of 0.30 μM. VU534 is dual inhibitors of FAAH and sEH (IC50 of 1.2 μM). VU534 increases efferocytosis in a NAPE-PLD dependent manner. VU534 has the potential for cardiometabolic diseases study [1] .
(2s,3s)-2-{[(6-chloro-4,5,7-trihydroxy-9,10-dioxoanthracen-2-yl)(hydroxy)methylidene]amino}-3-methylpentanoic acid
1-acetyl-4-hydroxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9h-pyrido[3,4-b]indole-3-carboximidic acid
C20H21N3O9 (447.12777360000007)
[(1r,12s,13r)-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-yl]oxidanesulfonic acid
C21H21NO8S (447.09878260000005)
2-{[(6-chloro-4,5,7-trihydroxy-9,10-dioxoanthracen-2-yl)(hydroxy)methylidene]amino}-4-methylpentanoic acid
2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-n-(3-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}propyl)-3-hydroxybutanimidic acid
(1r,21s,22s,23r)-4-chloro-22-hydroxy-11,21,23-trimethyl-24-oxa-20-azahexacyclo[19.3.1.0²,¹⁹.0⁵,¹⁸.0⁷,¹⁶.0⁸,¹³]pentacosa-2,4,7,9,11,13,15,18-octaene-6,17-dione
C26H22ClNO4 (447.1237282000001)
[(2r,3s,4s,5r,6r)-6-[(s)-cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
2-{[(6-chloro-4,5,7-trihydroxy-9,10-dioxoanthracen-2-yl)(hydroxy)methylidene]amino}-3-methylpentanoic acid
(2s,3r)-2-amino-3-(2,3-dihydroxybenzoyloxy)-n-(3-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}propyl)butanimidic acid
{6-[cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3,4,5-trihydroxybenzoate
3-amino-5-hydroxy-4-{6-methyl-6',7,8,8'-tetrahydro-2h,2'h-spiro[[1,3]dioxolo[4,5-g]isoquinoline-5,7'-indeno[4,5-d][1,3]dioxol]-8'-yl}pyrrol-2-one
C24H21N3O6 (447.14302860000004)
1-acetyl-4-hydroxy-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9h-pyrido[3,4-b]indole-3-carboximidic acid
C20H21N3O9 (447.12777360000007)
methyl 3,4,5-trimethoxy-2-[4-oxo-2-(pyridin-3-yl)quinazolin-3-yl]benzoate
C24H21N3O6 (447.14302860000004)
n-[2-hydroxy-5-({8-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)-7-oxophenoxazin-3-yl}methyl)phenyl]ethanimidic acid
C24H21N3O6 (447.14302860000004)
3-amino-5-hydroxy-4-[(5r,8'r)-6-methyl-6',7,8,8'-tetrahydro-2h,2'h-spiro[[1,3]dioxolo[4,5-g]isoquinoline-5,7'-indeno[4,5-d][1,3]dioxol]-8'-yl]pyrrol-2-one
C24H21N3O6 (447.14302860000004)
(2s,3s)-2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-n-(3-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}propyl)-3-hydroxybutanimidic acid
(2s)-2-{[(6-chloro-4,5,7-trihydroxy-9,10-dioxoanthracen-2-yl)(hydroxy)methylidene]amino}-4-methylpentanoic acid
{13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-yl}oxidanesulfonic acid
C21H21NO8S (447.09878260000005)
4-chloro-22-hydroxy-11,21,23-trimethyl-24-oxa-20-azahexacyclo[19.3.1.0²,¹⁹.0⁵,¹⁸.0⁷,¹⁶.0⁸,¹³]pentacosa-2,4,7,9,11,13,15,18-octaene-6,17-dione
C26H22ClNO4 (447.1237282000001)
2-amino-3-(2,3-dihydroxybenzoyloxy)-n-(3-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}propyl)butanimidic acid
(2s,3r,4s,5s,6r)-2-{[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-2-fluoro-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
C16H22FN5O9 (447.14014940000004)
3-amino-5-hydroxy-4-[(5r,8's)-6-methyl-6',7,8,8'-tetrahydro-2h,2'h-spiro[[1,3]dioxolo[4,5-g]isoquinoline-5,7'-indeno[4,5-d][1,3]dioxol]-8'-yl]pyrrol-2-one
C24H21N3O6 (447.14302860000004)