Exact Mass: 544.1682704

Exact Mass Matches: 544.1682704

Found 60 metabolites which its exact mass value is equals to given mass value 544.1682704, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Estriol 3-sulfate 16-glucuronide

(2S,3S,4S,5R)-3,4,5-trihydroxy-6-{[(1S,10R,11S,13R,14R,15S)-14-hydroxy-15-methyl-5-(sulfooxy)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-trien-13-yl]oxy}oxane-2-carboxylic acid

C24H32O12S (544.1614392)


Estriol 3-sulfate 16-glucuronide is a natural human metabolite of Estriol 3-sulfate generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Estriol 3-sulfate 16-glucuronide is a natural human metabolite of Estriol 3-sulfate generated in the liver by UDP glucuonyltransferase. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

   

Prednisolone metasulfobenzoate

3-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]carbonylbenzenesulfonic acid

C28H32O9S (544.1766942)


   

Vilaprisan

17-Hydroxy-13-methyl-11-(4-methylsulfonylphenyl)-17-(1,1,2,2,2-pentafluoroethyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

C27H29F5O4S (544.1706614)


   
   
   
   
   

tetragonolide isobutyrate

tetragonolide isobutyrate

C25H33ClO11 (544.1711298)


   
   

Cys Glu Met Tyr

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

Cys Glu Tyr Met

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

Cys Met Glu Tyr

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

Cys Met Tyr Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid

C22H32N4O8S2 (544.1661472)


   

Cys Tyr Glu Met

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

Cys Tyr Met Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C22H32N4O8S2 (544.1661472)


   

Glu Cys Met Tyr

(4S)-4-amino-4-{[(1R)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

Glu Cys Tyr Met

(4S)-4-amino-4-{[(1R)-1-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

Glu Met Cys Tyr

(4S)-4-amino-4-{[(1S)-1-{[(1R)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

Glu Met Tyr Cys

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

Glu Tyr Cys Met

(4S)-4-amino-4-{[(1S)-1-{[(1R)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

Glu Tyr Met Cys

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

Met Cys Glu Tyr

(4S)-4-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

Met Cys Tyr Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid

C22H32N4O8S2 (544.1661472)


   

Met Glu Cys Tyr

(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-{[(1R)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

Met Glu Tyr Cys

(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

Met Tyr Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]pentanedioic acid

C22H32N4O8S2 (544.1661472)


   

Met Tyr Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

Tyr Cys Glu Met

(4S)-4-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

Tyr Cys Met Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C22H32N4O8S2 (544.1661472)


   

Tyr Glu Cys Met

(4S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-{[(1R)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

Tyr Glu Met Cys

(4S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

Tyr Met Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]pentanedioic acid

C22H32N4O8S2 (544.1661472)


   

Tyr Met Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

GW 627368X

4-(4,9-diethoxy-1,3-dihydro-1-oxo-2H-benz[f]isoindol-2-yl)-N-(phenylsulfonyl)-benzeneacetamide

C30H28N2O6S (544.1667988)


   

Estriol 3-sulfate 16-glucuronide

(16alpha,17beta)-17-Hydroxy-3-(sulfooxy)estra-1,3,5(10)-trien-16-yl-beta-delta-glucopyranosiduronic acid

C24H32O12S (544.1614392)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

   
   

N2-[4-[[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-6-quinolinyl]-N1,N1-dimethylethanediamide

N2-[4-[[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-6-quinolinyl]-N1,N1-dimethylethanediamide

C28H25ClN6O4 (544.162572)


   

hafnium(4+),methanidylbenzene

hafnium(4+),methanidylbenzene

C28H28Hf (544.1656498)


   

Vilaprisan

Vilaprisan

C27H29F5O4S (544.1706614)


C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C1891 - Progesterone Antagonist C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent

   

Prednisolone metasulfobenzoate

Prednisolone metasulfobenzoate

C28H32O9S (544.1766942)


   
   
   

(2S,3R,4S,5R,6S)-6-[[(8R,9S,13S,14S,16R,17R)-16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,5-dihydroxy-4-sulfooxyoxane-2-carboxylic acid

(2S,3R,4S,5R,6S)-6-[[(8R,9S,13S,14S,16R,17R)-16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,5-dihydroxy-4-sulfooxyoxane-2-carboxylic acid

C24H32O12S (544.1614392)


   

(2S,3R,4S,5R,6R)-6-[[(8R,9S,13S,14S,16R,17R)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-3,5-dihydroxy-4-sulfooxyoxane-2-carboxylic acid

(2S,3R,4S,5R,6R)-6-[[(8R,9S,13S,14S,16R,17R)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-3,5-dihydroxy-4-sulfooxyoxane-2-carboxylic acid

C24H32O12S (544.1614392)


   

(2S,3R,4S,5R,6R)-6-[[(8R,9S,13S,14S,16R,17R)-3,16-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,5-dihydroxy-4-sulfooxyoxane-2-carboxylic acid

(2S,3R,4S,5R,6R)-6-[[(8R,9S,13S,14S,16R,17R)-3,16-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,5-dihydroxy-4-sulfooxyoxane-2-carboxylic acid

C24H32O12S (544.1614392)


   

(1r,2s,3e,4s,6r)-6-(benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1h-pyrrole-2-carboxylate

(1r,2s,3e,4s,6r)-6-(benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1h-pyrrole-2-carboxylate

C26H28N2O11 (544.1693018)


   

3,4',6-trihydroxy-4-(4-hydroxyphenyl)-5-[(3-phenylpropanoyl)oxy]-[1,1'-biphenyl]-2-yl (3r)-3-hydroxybutanoate

3,4',6-trihydroxy-4-(4-hydroxyphenyl)-5-[(3-phenylpropanoyl)oxy]-[1,1'-biphenyl]-2-yl (3r)-3-hydroxybutanoate

C31H28O9 (544.1733238)


   

methyl (1r,2r,3s,7s,8s,9s,10s,11s)-1-(chloromethyl)-2-hydroxy-8-{[(2z)-2-(hydroxymethyl)but-2-enoyl]oxy}-6-methylidene-9-[(2-methylpropanoyl)oxy]-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradecane-10-carboxylate

methyl (1r,2r,3s,7s,8s,9s,10s,11s)-1-(chloromethyl)-2-hydroxy-8-{[(2z)-2-(hydroxymethyl)but-2-enoyl]oxy}-6-methylidene-9-[(2-methylpropanoyl)oxy]-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradecane-10-carboxylate

C25H33ClO11 (544.1711298)


   

6-(hexanoyloxy)-2,4',5-trihydroxy-4-(4-hydroxyphenyl)-[1,1'-biphenyl]-3-yl 4-hydroxybenzoate

6-(hexanoyloxy)-2,4',5-trihydroxy-4-(4-hydroxyphenyl)-[1,1'-biphenyl]-3-yl 4-hydroxybenzoate

C31H28O9 (544.1733238)


   

methyl 1-(chloromethyl)-2-hydroxy-8-{[2-(hydroxymethyl)but-2-enoyl]oxy}-6-methylidene-9-[(2-methylpropanoyl)oxy]-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradecane-10-carboxylate

methyl 1-(chloromethyl)-2-hydroxy-8-{[2-(hydroxymethyl)but-2-enoyl]oxy}-6-methylidene-9-[(2-methylpropanoyl)oxy]-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradecane-10-carboxylate

C25H33ClO11 (544.1711298)


   

11,12,16-trimethyl (1r,12s,13r,16s,17s,23r)-18-formyl-12,17-dihydroxy-6,8-dioxa-11,20-diazahexacyclo[14.6.1.0¹,¹³.0²,¹⁰.0⁵,⁹.0²⁰,²³]tricosa-2(10),3,5(9),18-tetraene-11,12,16-tricarboxylate

11,12,16-trimethyl (1r,12s,13r,16s,17s,23r)-18-formyl-12,17-dihydroxy-6,8-dioxa-11,20-diazahexacyclo[14.6.1.0¹,¹³.0²,¹⁰.0⁵,⁹.0²⁰,²³]tricosa-2(10),3,5(9),18-tetraene-11,12,16-tricarboxylate

C26H28N2O11 (544.1693018)


   

3,4',6-trihydroxy-4-(4-hydroxyphenyl)-5-[(3-phenylpropanoyl)oxy]-[1,1'-biphenyl]-2-yl 3-hydroxybutanoate

3,4',6-trihydroxy-4-(4-hydroxyphenyl)-5-[(3-phenylpropanoyl)oxy]-[1,1'-biphenyl]-2-yl 3-hydroxybutanoate

C31H28O9 (544.1733238)


   

6-(benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1h-pyrrole-2-carboxylate

6-(benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1h-pyrrole-2-carboxylate

C26H28N2O11 (544.1693018)


   

11,12,16-trimethyl 18-formyl-12,17-dihydroxy-6,8-dioxa-11,20-diazahexacyclo[14.6.1.0¹,¹³.0²,¹⁰.0⁵,⁹.0²⁰,²³]tricosa-2(10),3,5(9),18-tetraene-11,12,16-tricarboxylate

11,12,16-trimethyl 18-formyl-12,17-dihydroxy-6,8-dioxa-11,20-diazahexacyclo[14.6.1.0¹,¹³.0²,¹⁰.0⁵,⁹.0²⁰,²³]tricosa-2(10),3,5(9),18-tetraene-11,12,16-tricarboxylate

C26H28N2O11 (544.1693018)


   

9-[(1r,3r,5s,8s,10r,12r,14r)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0³,⁸]tetradecan-12-yl]-1,8-dihydroxy-3-methyltetraphene-7,12-dione

9-[(1r,3r,5s,8s,10r,12r,14r)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0³,⁸]tetradecan-12-yl]-1,8-dihydroxy-3-methyltetraphene-7,12-dione

C31H28O9 (544.1733238)


   

11,12,16-trimethyl (1r,12r,13r,16s,17s,23r)-18-formyl-12,17-dihydroxy-6,8-dioxa-11,20-diazahexacyclo[14.6.1.0¹,¹³.0²,¹⁰.0⁵,⁹.0²⁰,²³]tricosa-2(10),3,5(9),18-tetraene-11,12,16-tricarboxylate

11,12,16-trimethyl (1r,12r,13r,16s,17s,23r)-18-formyl-12,17-dihydroxy-6,8-dioxa-11,20-diazahexacyclo[14.6.1.0¹,¹³.0²,¹⁰.0⁵,⁹.0²⁰,²³]tricosa-2(10),3,5(9),18-tetraene-11,12,16-tricarboxylate

C26H28N2O11 (544.1693018)


   

9-{5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0³,⁸]tetradecan-12-yl}-1,8-dihydroxy-3-methyltetraphene-7,12-dione

9-{5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0³,⁸]tetradecan-12-yl}-1,8-dihydroxy-3-methyltetraphene-7,12-dione

C31H28O9 (544.1733238)


   

(1r,2s,3e,4s,6r)-6-(benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1h-pyrrole-2-carboxylate

(1r,2s,3e,4s,6r)-6-(benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1h-pyrrole-2-carboxylate

C26H28N2O11 (544.1693018)


   

3,4',6-trihydroxy-4-(4-hydroxyphenyl)-5-[(3-phenylpropanoyl)oxy]-[1,1'-biphenyl]-2-yl (3s)-3-hydroxybutanoate

3,4',6-trihydroxy-4-(4-hydroxyphenyl)-5-[(3-phenylpropanoyl)oxy]-[1,1'-biphenyl]-2-yl (3s)-3-hydroxybutanoate

C31H28O9 (544.1733238)