Exact Mass: 447.1401
Exact Mass Matches: 447.1401
Found 440 metabolites which its exact mass value is equals to given mass value 447.1401
,
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].
ampiroxicam
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
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)
Hydromorphone-3-glucoside
Hydromorphone-3-glucoside is a metabolite of hydromorphone. Hydromorphone, a more common synonym for dihydromorphinone, commonly a hydrochloride (brand names Palladone, Dilaudid, and numerous others) is a very potent centrally acting analgesic drug of the opioid class. It is a derivative of morphine, to be specific, a hydrogenated ketone thereof and, therefore, a semi-synthetic drug. It is, in medical terms, an opioid analgesic and, in legal terms, a narcotic. (Wikipedia)
7-t-Butoxyiminomethyl-camptothecin
Ampiroxicam
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Amuvatinib
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
D000970 - Antineoplastic Agents > D000903 - Antibiotics, Antineoplastic > D008937 - Mitomycins
Elvitegravir
Methyl (2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate
Gimatecan
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
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.
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
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
1-(4-Chlorobenzyl)-3-(2-methoxyphenyl)spiro[quinazoline-2(1H),4-piperidine]-4(3H)-one
Asp Gln Ala Asp
[5-chloro-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-7-methyl-6,8-dioxo-2H-isoquinolin-7-yl] 3,5-dihydroxyhexanoate
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
Ala Asp Glu Asn
Ala Asp Gly Trp
Ala Asp Asn Glu
Ala Asp Gln Asp
Ala Asp Trp Gly
Ala Glu Asp Asn
Ala Glu Asn Asp
Ala Gly Asp Trp
Ala Gly Trp Asp
Ala Asn Asp Glu
Ala Asn Glu Asp
Ala Gln Asp Asp
Mefenamic acid Metabolite (b-D-Glucopyranuronic acid, 1-[2-[(3-carboxy-2-methylphenyl)amino]benzoate
Ala Trp Asp Gly
Ala Trp Gly Asp
Cys Asp Asn Pro
Cys Asp Pro Asn
Cys Asn Asp Pro
Cys Asn Pro Asp
Cys Pro Asp Asn
Cys Pro Asn Asp
Cys Pro Gln Thr
Cys Pro Thr Gln
Cys Gln Pro Thr
Cys Gln Thr Pro
Cys Thr Pro Gln
Cys Thr Gln Pro
Asp Ala Asp Gln
Asp Ala Glu Asn
Asp Ala Gly Trp
Asp Ala Asn Glu
Asp Ala Gln Asp
Asp Ala Trp Gly
Asp Cys Asn Pro
Asp Cys Pro Asn
Asp Asp Ala Gln
Asp Asp Gln Ala
Asp Glu Ala Asn
Asp Glu Gly Gln
Asp Glu Asn Ala
Asp Glu Gln Gly
Asp Gly Ala Trp
Asp Gly Glu Gln
Asp Gly Gln Glu
Asp Gly Trp Ala
Asp Asn Ala Glu
Asp Asn Cys Pro
Asp Asn Glu Ala
Asp Asn Pro Cys
Asp Pro Cys Asn
Asp Pro Asn Cys
Asp Gln Asp Ala
Asp Gln Glu Gly
Asp Gln Gly Glu
Asp Trp Ala Gly
Asp Trp Gly Ala
Glu Ala Asp Asn
Glu Ala Asn Asp
Glu Asp Ala Asn
Glu Asp Gly Gln
Glu Asp Asn Ala
Glu Asp Gln Gly
Glu Glu Gly Asn
Glu Glu Asn Gly
Glu Gly Asp Gln
Glu Gly Glu Asn
Glu Gly Gly Trp
Glu Gly Asn Glu
Glu Gly Gln Asp
Glu Gly Trp Gly
Glu Asn Ala Asp
Glu Asn Asp Ala
Glu Asn Glu Gly
Glu Asn Gly Glu
Glu Gln Asp Gly
Glu Gln Gly Asp
Glu Trp Gly Gly
Gly Ala Asp Trp
Gly Ala Trp Asp
Gly Asp Ala Trp
Gly Asp Glu Gln
Gly Asp Gln Glu
Gly Asp Trp Ala
Gly Glu Asp Gln
Gly Glu Glu Asn
Gly Glu Gly Trp
Gly Glu Asn Glu
Gly Glu Gln Asp
Gly Glu Trp Gly
Gly Gly Glu Trp
Gly Gly Trp Glu
Gly Asn Glu Glu
Gly Gln Asp Glu
Gly Gln Glu Asp
Gly Trp Ala Asp
Gly Trp Asp Ala
Gly Trp Glu Gly
Gly Trp Gly Glu
Met Asn Pro Ser
Met Asn Ser Pro
Met Pro Asn Ser
Met Pro Ser Asn
Met Ser Asn Pro
Met Ser Pro Asn
Asn Ala Asp Glu
Asn Ala Glu Asp
Asn Cys Asp Pro
Asn Cys Pro Asp
Asn Asp Ala Glu
Asn Asp Cys Pro
Asn Asp Glu Ala
Asn Asp Pro Cys
Asn Glu Ala Asp
Asn Glu Asp Ala
Asn Glu Glu Gly
Asn Glu Gly Glu
Asn Gly Glu Glu
Asn Met Pro Ser
Asn Met Ser Pro
Asn Asn Asn Ser
Asn Asn Ser Asn
Asn Pro Cys Asp
Asn Pro Asp Cys
Asn Pro Met Ser
Asn Pro Ser Met
Asn Ser Met Pro
Asn Ser Asn Asn
Asn Ser Pro Met
Pro Cys Asp Asn
Pro Cys Asn Asp
Pro Cys Gln Thr
Pro Cys Thr Gln
Pro Asp Cys Asn
Pro Asp Asn Cys
Pro Met Asn Ser
Pro Met Ser Asn
Pro Asn Cys Asp
Pro Asn Asp Cys
Pro Asn Met Ser
Pro Asn Ser Met
Pro Gln Cys Thr
Pro Gln Thr Cys
Pro Ser Met Asn
Pro Ser Asn Met
Pro Thr Cys Gln
Pro Thr Gln Cys
Gln Ala Asp Asp
Gln Cys Pro Thr
Gln Cys Thr Pro
Gln Asp Ala Asp
Gln Asp Asp Ala
Gln Asp Glu Gly
Gln Asp Gly Glu
Gln Glu Asp Gly
Gln Glu Gly Asp
Gln Gly Asp Glu
Gln Gly Glu Asp
Gln Pro Cys Thr
Gln Pro Thr Cys
Gln Thr Cys Pro
Gln Thr Pro Cys
Ser Met Asn Pro
Ser Met Pro Asn
Ser Asn Met Pro
Ser Asn Asn Asn
Ser Asn Pro Met
Ser Pro Met Asn
Ser Pro Asn Met
Thr Cys Pro Gln
Thr Cys Gln Pro
Thr Pro Cys Gln
Thr Pro Gln Cys
Thr Gln Cys Pro
Thr Gln Pro Cys
Trp Ala Asp Gly
Trp Ala Gly Asp
Trp Asp Ala Gly
Trp Asp Gly Ala
Trp Glu Gly Gly
Trp Gly Ala Asp
Trp Gly Asp Ala
Trp Gly Glu Gly
Trp Gly Gly Glu
Pigment A aglycone
6-[ethyl(p-tolyl)amino]-2-methylspiro[isobenzofuran-1(3H),9-[9H]xanthene]-3-one
2-(1-ethylpiperidin-1-ium-1-yl)ethyl 2-hydroxy-2,2-diphenylacetate,bromide
1-(Triphenylmethyl)-L-histidine methyl ester monohydrochloride
Ethyl (E)-7-[4-(4-fluorophenyl)-2-(cyclopropyl)-3-quinolinyl]-5-hydroxy-3-oxo-6-heptenoate
Diphenhydramine citrate
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D018926 - Anti-Allergic Agents
4-Nitrophenyl 2-O-(α-L-Fucopyranosyl)-α-D-galactopyranoside
Fmoc-(R)-3-Amino-3-(2,3-Dimethoxy-Phenyl)-Propionic Acid
Elvitegravir
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
4SC-202
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
Gimatecan
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor
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].
Phenyltoloxamine citrate
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
p-Nitrophenyl 2-O-(b-L-Fucopyranosyl)-b-D-galactopyranoside
3-METHOXY-N-(2-(3-(PIPERAZIN-1-YLMETHYL)IMIDAZO[2,1-B]THIAZOL-6-YL)PHENYL)BENZAMIDE
N-(6-Amino-5-chloro-3-pyridinyl)-5-{[3-(2-cyano-2-propanyl)benzoy l]amino}-2-methylbenzamide
JTC-801
JTC-801 is a selective opioid receptor-like1 (ORL1) receptor antagonist, binding to ORL1 receptor with a Ki value of 8.2?nM.
(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
(2R)-4-benzyl-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]morpholin-3-one
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
C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic
9-(1-Methyl-4-pyrazolyl)-1-[1-(1-oxoprop-2-enyl)-2,3-dihydroindol-6-yl]-2-benzo[h][1,6]naphthyridinone
(Z)-3-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(3-morpholinopropyl)propanamide
3-[N-(2-Carboxyethyl)methylamino]-7-[N-ethyl(3-sulfonatopropyl)amino]phenoxazin-5-ium
5-[2-(4-methoxyphenyl)ethynyl]-1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
[4-({6-[Allyl(methyl)amino]hexyl}oxy)-2-fluorophenyl](4-bromophenyl)methanone
N-[(Furan-2-YL)carbonyl]-(S)-leucyl-(R)-[1-amino-2(1H-indol-3-YL)ethyl]-phosphonic acid
(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
(2R)-1-[4-({4-[(2,5-Dichlorophenyl)amino]pyrimidin-2-YL}amino)phenoxy]-3-(dimethylamino)propan-2-OL
Amuvatinib
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
Pipamperone dihydrochloride
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants
Methyl (2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate
(2E,6E,10E)-3,7,11,15-Tetramethylhexadeca-2,6,10,14-tetraen-1-yl diphosphate
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
kaempferol 3-O-beta-D-galactoside(1-)
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
Conjugate base of quercitrin arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3.
5alpha,9alpha,10beta-Labda-8(20),13-dien-15-yl diphosphate(3-)
cyanidin 3-O-beta-D-glucoside(1-)
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.).
3-methyl-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl diphosphate
5alpha,9beta,10alpha-Labda-8(20),13-dien-15-yl diphosphate(3-)
2-(4-Hydroxy-3-oxylatophenyl)-8-(beta-D-glucopyranosyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
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
D-glucuronosyl-2-methyl-4-(3-methyl-1,4-dioxonaphthalen-2-yl)butanoate
19-ethyl-19-hydroxy-5-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
19-ethyl-19-hydroxy-10-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
ethyl 5-[(thien-2-ylacetyl)amino]-1-{2-[(thien-2-ylacetyl)oxy]ethyl}-1H-pyrazole-4-carboxylate
2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-5-[(4-nitrobenzyl)oxy]phenol
(3R)-7-phenyl-2-(phenylmethyl)-3-[4-(trifluoromethyl)phenyl]-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
luteolin 7-O-beta-D-glucoside(1-)
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-)
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
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
N-[2-[[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-2-furancarboxamide
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
(3R)-3-{[(3R)-3-{[(3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoyl]oxy}butanoyl]oxy}butanoate
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
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
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
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
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
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
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
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
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
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
(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
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
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
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
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
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
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
(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
6-O-[5-hydroxy-3-(2-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-L-gulonate
N-[3-(4-tert-butyl-1-pyridin-1-iumyl)-1,4-dioxo-2-naphthalenyl]benzenesulfonamide
2-methoxyethyl (2S)-2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate
2-methoxyethyl (2R)-2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate
Methyl 4-[1-(furan-2-ylmethyl)-3-(4-methoxybenzoyl)-4,5-dioxopyrrolidin-2-yl]benzoate
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
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
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-5-[(N-methylanilino)methyl]triazole-4-carboxamide
5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-olate
(-)-kolavenyl diphosphate(3-)
An organophosphate oxoanion obtained by deprotonation of diphosphate OH groups of (-)-kolavenyl diphosphate; major species at pH 7.3.
2-trans,6-trans,10-trans-geranylgeranyl diphosphate(3-)
Trianion of 2-trans,6-trans,10-trans-geranylgeranyl diphosphate.
2-cis,6-trans,10-trans-geranylgeranyl diphosphate(3-)
The organophosphate oxoanion formed by global deprotonation of the diphosphate group in 2-cis,6-trans,10-trans-geranylgeranyl diphosphate; principal microspecies at pH 7.3.
Glucosylceramide synthase-IN-2
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
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
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] .