Exact Mass: 533.1441

Exact Mass Matches: 533.1441

Found 54 metabolites which its exact mass value is equals to given mass value 533.1441, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

cyclo-Dopa-glucuronylglucoside

cyclo-dopa glucuronosyl glucoside

C21H27NO15 (533.1381)


   

Indomethacin acyl glucuronide

(2S,3S,4S,5R,6S)-6-({2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

C25H24ClNO10 (533.1089)


Indomethacin acyl glucuronide is a metabolite of indomethacin. Indometacin or indomethacin (USAN and former BAN) is a non-steroidal anti-inflammatory drug (NSAID) commonly used as a prescription medication to reduce fever, pain, stiffness, and swelling. It works by inhibiting the production of prostaglandins, molecules known to cause these symptoms. It is marketed under more than seventy different trade names. (Wikipedia)

   

N-(3,4-Dichlorophenyl)-2-{[5-(2,6-dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yl]oxy}acetamide

N-(3,4-dichlorophenyl)-2-{[5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yl]oxy}acetamide

C23H25Cl2N7O4 (533.1345)


   

(2r)-1,1,1-Trifluoro-2-{4-[(2s)-2-{[(3s)-3-Methylmorpholin-4-Yl]methyl}-4-(Thiophen-2-Ylsulfonyl)piperazin-1-Yl]phenyl}propan-2-Ol

(2R)-1,1,1-Trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulphonyl)piperazin-1-yl]phenyl}propan-2-ol

C23H30F3N3O4S2 (533.163)


   

Pelargonidin 3-(6'-succinyl-glucoside)

3-{[(2S,3R,4S,5S,6R)-6-{[(3-carboxypropanoyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1lambda4-chromen-1-ylium

C25H25O13+ (533.1295)


Pelargonidin 3-(6-succinyl-glucoside) 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. Pelargonidin 3-(6-succinyl-glucoside) is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Pelargonidin 3-(6-succinyl-glucoside) can be found in cloudberry, red raspberry, strawberry, and wheat, which makes pelargonidin 3-(6-succinyl-glucoside) a potential biomarker for the consumption of these food products.

   

7-[(beta-D-apiofuranosyl-(1?6)-beta-D-glucopyranosyl)oxymethy]-8,8-dimethyl-4,8-dihydrobenzo[1,4]thiazine-3,5-dione

7-[(beta-D-apiofuranosyl-(1?6)-beta-D-glucopyranosyl)oxymethy]-8,8-dimethyl-4,8-dihydrobenzo[1,4]thiazine-3,5-dione

C22H31NO12S (533.1567)


   
   
   

14-Deoxy-12-(cysteine-S-yl)-andrographolide-3-O-sulfate

14-Deoxy-12-(cysteine-S-yl)-andrographolide-3-O-sulfate

C23H35NO9S2 (533.1753)


   

1,2,3,10-Tetramethoxy-9-(2-hydroxy-4,5-dimethoxybenzyloxy)oxoaporphine

1,2,3,10-Tetramethoxy-9-(2-hydroxy-4,5-dimethoxybenzyloxy)oxoaporphine

C29H27NO9 (533.1686)


   
   

3-[(2,3,4a,8,12b-pentahydroxy-3-methyl-1,7,12-trioxo-2,4-dihydrobenzo[a]anthracen-5-yl)sulfanyl]-2-acetamidopropanoic acid

NCGC00380406-01!3-[(2,3,4a,8,12b-pentahydroxy-3-methyl-1,7,12-trioxo-2,4-dihydrobenzo[a]anthracen-5-yl)sulfanyl]-2-acetamidopropanoic acid

C24H23NO11S (533.0992)


   

4-[5-chloro-7-(3,5-dihydroxyhexanoyloxy)-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]butanoic acid

NCGC00380198-01!4-[5-chloro-7-(3,5-dihydroxyhexanoyloxy)-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]butanoic acid

C27H32ClNO8 (533.1816)


   

3-[(2,3,4a,8,12b-pentahydroxy-3-methyl-1,7,12-trioxo-2,4-dihydrobenzo[a]anthracen-5-yl)sulfanyl]-2-acetamidopropanoic acid [IIN-based on: CCMSLIB00000845277]

NCGC00380406-01!3-[(2,3,4a,8,12b-pentahydroxy-3-methyl-1,7,12-trioxo-2,4-dihydrobenzo[a]anthracen-5-yl)sulfanyl]-2-acetamidopropanoic acid [IIN-based on: CCMSLIB00000845277]

C24H23NO11S (533.0992)


   

3-[(2,3,4a,8,12b-pentahydroxy-3-methyl-1,7,12-trioxo-2,4-dihydrobenzo[a]anthracen-5-yl)sulfanyl]-2-acetamidopropanoic acid [IIN-based: Match]

NCGC00380406-01!3-[(2,3,4a,8,12b-pentahydroxy-3-methyl-1,7,12-trioxo-2,4-dihydrobenzo[a]anthracen-5-yl)sulfanyl]-2-acetamidopropanoic acid [IIN-based: Match]

C24H23NO11S (533.0992)


   

Tolrestat glucuronide

Tolrestat glucuronide

C22H22F3NO9S (533.0967)


   

Indomethacin glucuronide

Indomethacin glucuronide

C25H24ClNO10 (533.1089)


   

N-Acetyl-S-(2,3,4a,8,12b-pentahydroxy-3-methyl-1,7,12-trioxo-1,2,3,4,4a,7,12,12b-octahydro-5-tetraphenyl)cysteine

N-Acetyl-S-(2,3,4a,8,12b-pentahydroxy-3-methyl-1,7,12-trioxo-1,2,3,4,4a,7,12,12b-octahydro-5-tetraphenyl)cysteine

C24H23NO11S (533.0992)


   

Ethyl 1-(2-chlorophenyl)-5-(4-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)c arbonyl]-1-piperazinyl}phenyl)-1H-pyrazole-3-carboxylate

Ethyl 1-(2-chlorophenyl)-5-(4-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)c arbonyl]-1-piperazinyl}phenyl)-1H-pyrazole-3-carboxylate

C28H28ClN5O4 (533.183)


   

Ac-Asp-Met-Gln-Asp-aldehyde

Ac-Asp-Met-Gln-Asp-aldehyde

C20H31N5O10S (533.1792)


   

N-acetylneuraminic Acid Methyl Ester 2,4,7,8,9-Pentaacetate

N-acetylneuraminic Acid Methyl Ester 2,4,7,8,9-Pentaacetate

C22H31NO14 (533.1744)


   
   

Disperse Red 135

Disperse Red 135

C27H27N5O7 (533.191)


   

Idarubicin hydrochloride

Idarubicin (hydrochloride)

C26H28ClNO9 (533.1453)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D004791 - Enzyme Inhibitors Idarubicin hydrochloride is an anthracycline antileukemic agent. It inhibits the topoisomerase II interfering with the replication of DNA and RNA transcription. Idarubicin hydrochloride inhibits the growth of bacteria and yeasts.

   

N-{2-[4-({3-Chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H -pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-2-hydroxy-2-methylpropanamid e

N-{2-[4-({3-Chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H -pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-2-hydroxy-2-methylpropanamid e

C25H23ClF3N5O3 (533.1441)


   

fmoc-d-asp-ofm

fmoc-d-asp-ofm

C33H27NO6 (533.1838)


   

Melphalan flufenamide hydrochloride

Melphalan flufenamide hydrochloride

C24H31Cl3FN3O3 (533.1415)


D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor

   

Dasabuvir sodium hydrate

Dasabuvir sodium hydrate

C26H28N3NaO6S (533.1596)


   

((4-((4-Amino-m-tolyl)(4-(phenylimino)cyclohexa-2,5-dien-1-ylidene)methyl)phenyl)amino)benzenesulphonic acid

((4-((4-Amino-m-tolyl)(4-(phenylimino)cyclohexa-2,5-dien-1-ylidene)methyl)phenyl)amino)benzenesulphonic acid

C32H27N3O3S (533.1773)


   

Tryptophyl adenylate

Tryptophyl adenylate

C21H24N7O8P (533.1424)


   

Tryptophanyl-5AMP

Tryptophanyl-5AMP

C21H24N7O8P (533.1424)


   

(2r)-1,1,1-Trifluoro-2-{4-[(2s)-2-{[(3s)-3-Methylmorpholin-4-Yl]methyl}-4-(Thiophen-2-Ylsulfonyl)piperazin-1-Yl]phenyl}propan-2-Ol

(2R)-1,1,1-Trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulphonyl)piperazin-1-yl]phenyl}propan-2-ol

C23H30F3N3O4S2 (533.163)


   

(L-tryptophanyl)adenylate

(L-tryptophanyl)adenylate

C21H24N7O8P (533.1424)


   

(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxidoiminoacetyl]amino]-8-oxo-3-[(E)-[2-oxo-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-3-ylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxidoiminoacetyl]amino]-8-oxo-3-[(E)-[2-oxo-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-3-ylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C20H21N8O6S2- (533.1025)


   

(-)-latifolian A trifluoroacetate

(-)-latifolian A trifluoroacetate

C26H22F3NO8 (533.1297)


A natural product found in Gnetum montanum.

   

N-Benzoyl-N-(18-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)benzamide

N-Benzoyl-N-(18-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)benzamide

C35H23N3O3 (533.1739)


   

gammaGluCys(IAN)Glu

gammaGluCys(IAN)Glu

C23H27N5O8S (533.158)


A tripeptide that consists of L-gamma-glutamyl-L-cysteinyl-L-glutamic acid in which the the cysteine side chain is substituted by a cyano(indol-3-yl)methyl group.

   

N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide

N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide

C27H33Cl2N3O4 (533.1848)


   

(2S,3S,4S,5R)-6-[3-[(4-acetamidophenyl)sulfonylamino]-2-phenylpyrazol-1-ium-1-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid

(2S,3S,4S,5R)-6-[3-[(4-acetamidophenyl)sulfonylamino]-2-phenylpyrazol-1-ium-1-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid

C23H25N4O9S+ (533.1342)


   

6-[4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]-C-hydroxycarbonimidoyl}eth-1-en-1-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

6-[4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]-C-hydroxycarbonimidoyl}eth-1-en-1-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C26H31NO11 (533.1897)


   

(7R,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride

(7R,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride

C26H28ClNO9 (533.1453)


   

4-[5-chloro-7-(3,5-dihydroxyhexanoyloxy)-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]butanoic acid

4-[5-chloro-7-(3,5-dihydroxyhexanoyloxy)-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]butanoic acid

C27H32ClNO8 (533.1816)


   

3-[(2,3,4a,8,12b-Pentahydroxy-3-methyl-1,7,12-trioxo-2,4-dihydrobenzo[a]anthracen-5-yl)sulfanyl]-2-acetamidopropanoic acid

3-[(2,3,4a,8,12b-Pentahydroxy-3-methyl-1,7,12-trioxo-2,4-dihydrobenzo[a]anthracen-5-yl)sulfanyl]-2-acetamidopropanoic acid

C24H23NO11S (533.0992)


   

Idarubicin hydrochloride

Idarubicin (hydrochloride)

C26H27NO9.HCl (533.1453)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D004791 - Enzyme Inhibitors Idarubicin hydrochloride is an anthracycline antileukemic agent. It inhibits the topoisomerase II interfering with the replication of DNA and RNA transcription. Idarubicin hydrochloride inhibits the growth of bacteria and yeasts.

   

Indomethacin acyl-B-D-glucuronide

Indomethacin acyl-B-D-glucuronide

C25H24ClNO10 (533.1089)


   

3-L-tryptophyl-AMP

3-L-tryptophyl-AMP

C21H24N7O8P (533.1424)


An L-tryptophan derivative that is the ester obtained by formal condensation of the carboxy group of L-tryptophan with the 3-hydroxy group of AMP.

   

(L-Tryptophyl)adenylate

(L-Tryptophyl)adenylate

C21H24N7O8P (533.1424)


   

(15e)-5,8,18,21-tetrahydroxy-6-isopropyl-20-[2-(methylsulfanyl)ethyl]-2-oxa-11,12-dithia-7,19,22-triazabicyclo[7.7.6]docosa-7,15,18,21-tetraen-3-one

(15e)-5,8,18,21-tetrahydroxy-6-isopropyl-20-[2-(methylsulfanyl)ethyl]-2-oxa-11,12-dithia-7,19,22-triazabicyclo[7.7.6]docosa-7,15,18,21-tetraen-3-one

C22H35N3O6S3 (533.1688)


   

(2s)-2-{[(2r)-2-{[(4s)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-3-{[cyano(1h-indol-3-yl)methyl]sulfanyl}-1-hydroxypropylidene]amino}pentanedioic acid

(2s)-2-{[(2r)-2-{[(4s)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-3-{[cyano(1h-indol-3-yl)methyl]sulfanyl}-1-hydroxypropylidene]amino}pentanedioic acid

C23H27N5O8S (533.158)


   

(2s)-5-hydroxy-1-[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroindole-2-carboxylic acid

(2s)-5-hydroxy-1-[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroindole-2-carboxylic acid

C25H27NO12 (533.1533)


   

3-{[(2s,3r,4s,5s,6r)-6-{[(3-carboxypropanoyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1λ⁴-chromen-1-ylium

3-{[(2s,3r,4s,5s,6r)-6-{[(3-carboxypropanoyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1λ⁴-chromen-1-ylium

[C25H25O13]+ (533.1295)


   

5,8,18,21-tetrahydroxy-6-isopropyl-20-[2-(methylsulfanyl)ethyl]-2-oxa-11,12-dithia-7,19,22-triazabicyclo[7.7.6]docosa-7,15,18,21-tetraen-3-one

5,8,18,21-tetrahydroxy-6-isopropyl-20-[2-(methylsulfanyl)ethyl]-2-oxa-11,12-dithia-7,19,22-triazabicyclo[7.7.6]docosa-7,15,18,21-tetraen-3-one

C22H35N3O6S3 (533.1688)


   

5-hydroxy-1-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroindole-2-carboxylic acid

5-hydroxy-1-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroindole-2-carboxylic acid

C25H27NO12 (533.1533)