Exact Mass: 447.0893794
Exact Mass Matches: 447.0893794
Found 117 metabolites which its exact mass value is equals to given mass value 447.0893794
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
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)
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
(+)-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.
Mefenamic acid Metabolite (b-D-Glucopyranuronic acid, 1-[2-[(3-carboxy-2-methylphenyl)amino]benzoate
Pigment A aglycone
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
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
1H-Benzimidazole,5,6-dimethyl-1-[[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]sulfonyl]-(9CI)
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
C21H22BrNO3S (447.0503682000001)
(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
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
5-O-(N-(L-Threonyl)-sulfamoyl)adenosine
C14H21N7O8S (447.11722660000004)
(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
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
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
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
C20H21N3O5S2 (447.09225760000004)
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)
(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-({4-[(3-Chlorobenzyl)oxy]-3-methoxybenzylidene}hydrazono)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
C20H18ClN3O5S (447.06556480000006)
[(2E)-2-((2E)-{3-[(2-chlorobenzyl)oxy]-4-methoxybenzylidene}hydrazono)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
C20H18ClN3O5S (447.06556480000006)
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
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)
5-[(2-{[3-(4-Bromophenyl)prop-2-en-1-yl]azaniumyl}ethyl)sulfamoyl]isoquinolin-2-ium
C20H22BrN3O2S+2 (447.06160120000004)
(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)
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.
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
(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
{6-[cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3,4,5-trihydroxybenzoate
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)
(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)