Exact Mass: 447.0919
Exact Mass Matches: 447.0919
Found 122 metabolites which its exact mass value is equals to given mass value 447.0919,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
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
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
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
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
(+)-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
Mefenamic acid Metabolite (b-D-Glucopyranuronic acid, 1-[2-[(3-carboxy-2-methylphenyl)amino]benzoate
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
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
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
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
1-Hexyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide
3,6-Biscarboxymethyl-3,6-diaza-2-methyldithio-(2-pyridyl)octane-1,8-dicarboxylic AcidDiscontinued
ethyl 6-broMo-5-hydroxy-1-Methyl-2-(3-(phenylthio)propyl)-1H-indole-3-carboxylate
(2R)-4-benzyl-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]morpholin-3-one
2-(5-Chloro-2-Thienyl)-N-{(3s)-1-[(1s)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}ethenesulfonamide
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
C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic
Glucobrassicin(1-)
An indolylmethylglucosinolate that is the conjugate base of glucobrassicin, obtained by deprotonation of the sulfo group.
[4-({6-[Allyl(methyl)amino]hexyl}oxy)-2-fluorophenyl](4-bromophenyl)methanone
(2S)-1-[4-({4-[(2,5-Dichlorophenyl)amino]pyrimidin-2-YL}amino)phenoxy]-3-(dimethylamino)propan-2-OL
(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
5,7-difluoro-2-methyl-3-{4-[4-(trifluoromethoxy)phenoxy]phenyl}quinolin-4(1H)-one
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.
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.).
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
[(3S)-3-azaniumyl-3-carboxylatopropyl](5-deoxyadenosin-5-yl)(methyl)selenonium
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N-[4-(4-methylphenyl)-2-thiazolyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide
N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]-sulfanylidenemethyl]benzamide
ethyl 5-[(thien-2-ylacetyl)amino]-1-{2-[(thien-2-ylacetyl)oxy]ethyl}-1H-pyrazole-4-carboxylate
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
(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
[2-({4-[(3-Chlorobenzyl)oxy]-3-methoxybenzylidene}hydrazono)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
[(2E)-2-((2E)-{3-[(2-chlorobenzyl)oxy]-4-methoxybenzylidene}hydrazono)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
9-Bromo-6-[(3,4-dimethoxyphenyl)methyl]indolo[3,2-b]quinoxaline
(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
(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
5-[(2-{[3-(4-Bromophenyl)prop-2-en-1-yl]azaniumyl}ethyl)sulfamoyl]isoquinolin-2-ium
(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
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
ethyl 2-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate
5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-olate
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
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] .
