Exact Mass: 447.0504

Exact Mass Matches: 447.0504

Found 70 metabolites which its exact mass value is equals to given mass value 447.0504, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Se-Adenosylselenomethionine

Se-Adenosylselenomethionine

C15H23N6O5Se+ (447.0895)


   

Se-Adenosylselenomethionine

(3-amino-3-carboxypropyl)({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl})methylselanium

C15H23N6O5Se+ (447.0895)


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

   

cyanidin 5-O-beta-D-glucoside

2-hydroxy-4-(3-hydroxy-7-oxo-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7H-chromen-2-yl)benzen-1-olate

C21H19O11- (447.0927)


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.

   

Glucotropaeolin

potassium;[(E)-[2-phenyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylidene]amino] sulfate

C14H18NO9S2-.K+ (447.006)


Glucotropaeolin potassium (Benzylglucosinolate potassium) , a glucosinolate contained in cruciferous vegetables, causes a moderate decrease in spontaneous DNA damage in animals[1].

   
   

Luteolinidin 4-glucuronide

5,7,3,4-Tetrahydroxyflavylium 4-glucuronide

C21H19O11 (447.0927)


   
   
   
   
   

(+)-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

(+)-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 (447.0988)


   

Benzyl glucosinolate

potassium;[(E)-[2-phenyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylidene]amino] sulfate

C14H18KNO9S2 (447.006)


Glucotropaeolin potassium (Benzylglucosinolate potassium) , a glucosinolate contained in cruciferous vegetables, causes a moderate decrease in spontaneous DNA damage in animals[1].

   

kaempferol-7-o-glucoside

kaempferol-7-o-glucoside

[C21H19O11]- (447.0927)


   
   

Cis-dichlorobis(diethylsulfide)platinum(II)

Cis-dichlorobis(diethylsulfide)platinum(II)

C8H22Cl2PtS2 (447.0188)


   

(-)-4-FLUOROTARTRANILICACID

(-)-4-FLUOROTARTRANILICACID

C16H9N5O11 (447.0299)


   

4-BROMO-3-(TRIFLUOROMETHYL)BENZENESULPHONAMIDE

4-BROMO-3-(TRIFLUOROMETHYL)BENZENESULPHONAMIDE

C16H9N5O11 (447.0299)


   

2-Methyl-2-propanyl 3-(5-chloro-2-iodo-1H-pyrrolo[2,3-b]pyridin-3 -yl)-1-pyrrolidinecarboxylate

2-Methyl-2-propanyl 3-(5-chloro-2-iodo-1H-pyrrolo[2,3-b]pyridin-3 -yl)-1-pyrrolidinecarboxylate

C16H19ClIN3O2 (447.021)


   

(S)-7-Fluoro-1-(1-hydroxymethyl-2-methyl-propyl)-6-iodo-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

(S)-7-Fluoro-1-(1-hydroxymethyl-2-methyl-propyl)-6-iodo-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

C17H19FINO4 (447.0343)


   

1-Hexyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide

1-Hexyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide

C12H19F6N3O4S2 (447.0721)


   

3,6-Biscarboxymethyl-3,6-diaza-2-methyldithio-(2-pyridyl)octane-1,8-dicarboxylic AcidDiscontinued

3,6-Biscarboxymethyl-3,6-diaza-2-methyldithio-(2-pyridyl)octane-1,8-dicarboxylic AcidDiscontinued

C16H21N3O8S2 (447.077)


   

ethyl 6-broMo-5-hydroxy-1-Methyl-2-(3-(phenylthio)propyl)-1H-indole-3-carboxylate

ethyl 6-broMo-5-hydroxy-1-Methyl-2-(3-(phenylthio)propyl)-1H-indole-3-carboxylate

C21H22BrNO3S (447.0504)


   

(6-bromopyridin-2-yl)-tributylstannane

(6-bromopyridin-2-yl)-tributylstannane

C17H30BrNSn (447.0583)


   

5-Bromo-2-(tributylstannyl)pyridine

5-Bromo-2-(tributylstannyl)pyridine

C17H30BrNSn (447.0583)


   

4-(TRIFLUOROMETHYL)NICOTINAMIDE

4-(TRIFLUOROMETHYL)NICOTINAMIDE

C25H23BrNP (447.0751)


   

2-(5-Chloro-2-Thienyl)-N-{(3s)-1-[(1s)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}ethenesulfonamide

2-(5-Chloro-2-Thienyl)-N-{(3s)-1-[(1s)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}ethenesulfonamide

C17H22ClN3O5S2 (447.0689)


D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors D006401 - Hematologic Agents > D000925 - Anticoagulants > D000991 - Antithrombins

   

Decoglurant

Decoglurant

C21H11F6N5 (447.0919)


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].

   

Glucobrassicin(1-)

Glucobrassicin(1-)

C16H19N2O9S2- (447.0532)


An indolylmethylglucosinolate that is the conjugate base of glucobrassicin, obtained by deprotonation of the sulfo group.

   

(2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide

(2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide

C18H14IN3O3 (447.008)


   

5,7-difluoro-2-methyl-3-{4-[4-(trifluoromethoxy)phenoxy]phenyl}quinolin-4(1H)-one

5,7-difluoro-2-methyl-3-{4-[4-(trifluoromethoxy)phenoxy]phenyl}quinolin-4(1H)-one

C23H14F5NO3 (447.0894)


   
   

Isoorientin(1-)

Isoorientin(1-)

C21H19O11- (447.0927)


   

kaempferol 3-O-beta-D-galactoside(1-)

kaempferol 3-O-beta-D-galactoside(1-)

C21H19O11- (447.0927)


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

Quercitrin-7-olate

C21H19O11- (447.0927)


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-)

cyanidin 3-O-beta-D-glucoside(1-)

C21H19O11- (447.0927)


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-)

kaempferol 3-O-beta-D-glucoside(1-)

C21H19O11- (447.0927)


   

2-(4-Hydroxy-3-oxylatophenyl)-8-(beta-D-glucopyranosyl)-5,7-dihydroxy-4H-1-benzopyran-4-one

2-(4-Hydroxy-3-oxylatophenyl)-8-(beta-D-glucopyranosyl)-5,7-dihydroxy-4H-1-benzopyran-4-one

C21H19O11- (447.0927)


   

Indolylmethyl-glucosinolate

Indolylmethyl-glucosinolate

C16H19N2O9S2- (447.0532)


   

kaempferol 7-O-beta-D-glucoside

kaempferol 7-O-beta-D-glucoside

C21H19O11- (447.0927)


   

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

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- (447.0927)


   

[(3S)-3-azaniumyl-3-carboxylatopropyl](5-deoxyadenosin-5-yl)(methyl)selenonium

[(3S)-3-azaniumyl-3-carboxylatopropyl](5-deoxyadenosin-5-yl)(methyl)selenonium

C15H23N6O5Se+ (447.0895)


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-(4-methylphenyl)-2-thiazolyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide

C20H21N3O3S3 (447.0745)


   

N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]-sulfanylidenemethyl]benzamide

N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]-sulfanylidenemethyl]benzamide

C18H17N5O3S3 (447.0493)


   

ethyl 5-[(thien-2-ylacetyl)amino]-1-{2-[(thien-2-ylacetyl)oxy]ethyl}-1H-pyrazole-4-carboxylate

ethyl 5-[(thien-2-ylacetyl)amino]-1-{2-[(thien-2-ylacetyl)oxy]ethyl}-1H-pyrazole-4-carboxylate

C20H21N3O5S2 (447.0923)


   

2-[[(4-Bromo-1-ethyl-3-pyrazolyl)-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester

2-[[(4-Bromo-1-ethyl-3-pyrazolyl)-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester

C19H18BrN3O3S (447.0252)


   

1-[[1-Oxo-2-[[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]thio]ethyl]amino]-3-phenylthiourea

1-[[1-Oxo-2-[[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]thio]ethyl]amino]-3-phenylthiourea

C18H17N5OS4 (447.0316)


   

luteolin 7-O-beta-D-glucoside(1-)

luteolin 7-O-beta-D-glucoside(1-)

C21H19O11- (447.0927)


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-)

cyanidin 3-O-beta-D-galactoside(1-)

C21H19O11- (447.0927)


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-[[6-[(2-Methyl-5-thieno[2,3-e][1,3]benzothiazolyl)oxy]-3-pyridinyl]sulfonyl]morpholine

4-[[6-[(2-Methyl-5-thieno[2,3-e][1,3]benzothiazolyl)oxy]-3-pyridinyl]sulfonyl]morpholine

C19H17N3O4S3 (447.0381)


   

(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

(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 (447.0713)


   

[2-({4-[(3-Chlorobenzyl)oxy]-3-methoxybenzylidene}hydrazono)-4-oxo-1,3-thiazolidin-5-yl]acetic acid

[2-({4-[(3-Chlorobenzyl)oxy]-3-methoxybenzylidene}hydrazono)-4-oxo-1,3-thiazolidin-5-yl]acetic acid

C20H18ClN3O5S (447.0656)


   

[(2E)-2-((2E)-{3-[(2-chlorobenzyl)oxy]-4-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

C20H18ClN3O5S (447.0656)


   

luteolin 4-O-beta-D-glucoside

luteolin 4-O-beta-D-glucoside

C21H19O11- (447.0927)


   

9-Bromo-6-[(3,4-dimethoxyphenyl)methyl]indolo[3,2-b]quinoxaline

9-Bromo-6-[(3,4-dimethoxyphenyl)methyl]indolo[3,2-b]quinoxaline

C23H18BrN3O2 (447.0582)


   

2-thio-N(6)-dimethylallyladenine 5-monophosphate

2-thio-N(6)-dimethylallyladenine 5-monophosphate

C15H22N5O7PS (447.0978)


   

6-O-[5-hydroxy-3-(2-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-L-gulonate

6-O-[5-hydroxy-3-(2-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-L-gulonate

C21H19O11- (447.0927)


   

5-[(2-{[3-(4-Bromophenyl)prop-2-en-1-yl]azaniumyl}ethyl)sulfamoyl]isoquinolin-2-ium

5-[(2-{[3-(4-Bromophenyl)prop-2-en-1-yl]azaniumyl}ethyl)sulfamoyl]isoquinolin-2-ium

C20H22BrN3O2S+2 (447.0616)


   

(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

(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 (447.0713)


   

3,5-dihydroxy-2-(4-methoxy-3-sulooxyphenyl)-7-sulino-3,4-dihydro-2H-chromen-6-olate

3,5-dihydroxy-2-(4-methoxy-3-sulooxyphenyl)-7-sulino-3,4-dihydro-2H-chromen-6-olate

C16H15O11S2- (447.0056)


   

5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-olate

5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-olate

C21H19O11- (447.0927)


   

L-adenosylselenomethionine

Se-Adenosylselenomethionine

C15H23N6O5Se+ (447.0895)


A selenomethionine consisting of L-selenomethionine having an adenosyl group attached to the selenium.

   

L-adenosylselenomethionine zwitterion

L-adenosylselenomethionine zwitterion

C15H23N6O5Se (447.0895)


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.

   

Luteolinidin 4'-glucuronide

Luteolinidin 4'-glucuronide

C21H19O11 (447.0927)


   

(2s,3s)-2-{[(6-chloro-4,5,7-trihydroxy-9,10-dioxoanthracen-2-yl)(hydroxy)methylidene]amino}-3-methylpentanoic acid

(2s,3s)-2-{[(6-chloro-4,5,7-trihydroxy-9,10-dioxoanthracen-2-yl)(hydroxy)methylidene]amino}-3-methylpentanoic acid

C21H18ClNO8 (447.0721)


   

[(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

[(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 (447.0988)


   

2-{[(6-chloro-4,5,7-trihydroxy-9,10-dioxoanthracen-2-yl)(hydroxy)methylidene]amino}-4-methylpentanoic acid

2-{[(6-chloro-4,5,7-trihydroxy-9,10-dioxoanthracen-2-yl)(hydroxy)methylidene]amino}-4-methylpentanoic acid

C21H18ClNO8 (447.0721)


   

2-{[(6-chloro-4,5,7-trihydroxy-9,10-dioxoanthracen-2-yl)(hydroxy)methylidene]amino}-3-methylpentanoic acid

2-{[(6-chloro-4,5,7-trihydroxy-9,10-dioxoanthracen-2-yl)(hydroxy)methylidene]amino}-3-methylpentanoic acid

C21H18ClNO8 (447.0721)


   

(2s)-2-{[(6-chloro-4,5,7-trihydroxy-9,10-dioxoanthracen-2-yl)(hydroxy)methylidene]amino}-4-methylpentanoic acid

(2s)-2-{[(6-chloro-4,5,7-trihydroxy-9,10-dioxoanthracen-2-yl)(hydroxy)methylidene]amino}-4-methylpentanoic acid

C21H18ClNO8 (447.0721)


   

{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

{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 (447.0988)