Exact Mass: 591.2263768
Exact Mass Matches: 591.2263768
Found 194 metabolites which its exact mass value is equals to given mass value 591.2263768
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
2-Hydroxyestrone-1-S-glutathione
C28H37N3O9S (591.2250392000001)
2-Hydroxyestrone-1-S-glutathione is a glutathione conjugate derivative of Estrone. Estrone (also oestrone) is an estrogenic hormone secreted by the ovary. Its molecular formula is C18H22O2. estrone has a melting point of 254.5 degrees Celsius. estrone is one of the three estrogens, which also include estriol and estradiol. estrone is the least prevalent of the three hormones, estradiol being prevalent almost always in a female body, estriol being prevalent primarily during pregnancy. estrone sulfate is relevant to health and disease due to its conversion to estrone sulfate, a long-lived derivative of estrone. estrone sulfate acts as a pool of estrone which can be converted as needed to the more active estradiol. 2-Hydroxyestrone-1-S-glutathione is a glutathione conjugate derivative of Estrone
2-Hydroxyestrone-4-S-glutathione
C28H37N3O9S (591.2250392000001)
2-Hydroxyestrone-4-S-glutathione is a glutathione conjugate derivative of Estrone. Estrone (also oestrone) is an estrogenic hormone secreted by the ovary. Its molecular formula is C18H22O2. estrone has a melting point of 254.5 degrees Celsius. estrone is one of the three estrogens, which also include estriol and estradiol. estrone is the least prevalent of the three hormones, estradiol being prevalent almost always in a female body, estriol being prevalent primarily during pregnancy. estrone sulfate is relevant to health and disease due to its conversion to estrone sulfate, a long-lived derivative of estrone. estrone sulfate acts as a pool of estrone which can be converted as needed to the more active estradiol. 2-Hydroxyestrone-4-S-glutathione is a glutathione conjugate derivative of Estrone
4-Hydroxyestrone-2-S-glutathione
C28H37N3O9S (591.2250392000001)
4-Hydroxyestrone-2-S-glutathione is a glutathione conjugate derivative of Estrone. Estrone (also oestrone) is an estrogenic hormone secreted by the ovary. Its molecular formula is C18H22O2. estrone has a melting point of 254.5 degrees Celsius. estrone is one of the three estrogens, which also include estriol and estradiol. estrone is the least prevalent of the three hormones, estradiol being prevalent almost always in a female body, estriol being prevalent primarily during pregnancy. estrone sulfate is relevant to health and disease due to its conversion to estrone sulfate, a long-lived derivative of estrone. estrone sulfate acts as a pool of estrone which can be converted as needed to the more active estradiol. 4-Hydroxyestrone-2-S-glutathione is a glutathione conjugate derivative of Estrone
Zafirlukast metabolite M5
C31H33N3O7S (591.2039108000001)
Zafirlukast metabolite M5 is a metabolite of zafirlukast. Zafirlukast is an oral leukotriene receptor antagonist (LTRA) for the maintenance treatment of asthma, often used in conjunction with an inhaled steroid and/or long-acting bronchodilator. It is available as a tablet and is usually dosed twice daily. Another leukotriene receptor antagonist is montelukast (Singulair), taken once daily. Zileuton (Zyflo), also used in the treatment of asthma via its inhibition of 5-lipoxygenase, is taken four times per day. (Wikipedia)
Chemodosimeter
Mycobactins
D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents
6,7,10-Triacetoxy-5a-(acetoxymethyl)-3,4,5,5a,6,7,8,9-octahydro-2,2,9-trimethyl-5-(3-pyridylcarbonyloxy)-2H-3,9a-methano-1-benzooxepin-9-ol
C29H37NO12 (591.2315642000001)
DEPMPO-biotin
Cys Phe His Trp
Cys Phe Trp His
Cys His Phe Trp
Cys His Trp Phe
Cys Gln Arg Trp
Cys Gln Trp Arg
Cys Arg Gln Trp
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Cys Trp Phe His
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Cys Trp Arg Gln
Glu Glu Glu Trp
Glu Glu Trp Glu
Glu Trp Glu Glu
Phe Cys His Trp
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Phe Trp Cys His
Phe Trp His Cys
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His Trp Tyr Ser
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His Tyr Trp Ser
Met Gln Gln Trp
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Asn Trp Ser Trp
Asn Trp Trp Ser
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Gln Met Trp Gln
Gln Gln Met Trp
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Gln Arg Trp Cys
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Gln Trp Arg Cys
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Ser His Trp Tyr
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1,2,2,3,4,4-hexaphenyl-1,3,5,2,4,6-triazatrisilinane
C36H33N3Si3 (591.1982178000001)
Bamocaftor
D049990 - Membrane Transport Modulators > D065101 - Chloride Channel Agonists C87006 - Pharmacological Chaperone
Monatepil maleate
C32H34FN3O5S (591.2203086000001)
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
2-Amino-6-[4-(2-amino-2-carboxyethyl)-3-(3-amino-3-carboxypropyl)-5-hydroxypyridin-1-ium-1-yl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid
3-chloro-N-[1-[[2-(dimethylamino)-1-oxoethyl]amino]-3-[4-[8-(1-hydroxyethyl)-2-imidazo[1,2-a]pyridinyl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide
C32H38ClN5O4 (591.2612177999999)
3-chloro-N-[1-[[2-(dimethylamino)-1-oxoethyl]amino]-3-[4-[8-[(1S)-1-hydroxyethyl]-2-imidazo[1,2-a]pyridinyl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide
C32H38ClN5O4 (591.2612177999999)
4-chloro-N-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]benzenesulfonamide
C30H42ClN3O5S (591.2533552000001)
4-chloro-N-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]benzenesulfonamide
C30H42ClN3O5S (591.2533552000001)
4-chloro-N-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]benzenesulfonamide
C30H42ClN3O5S (591.2533552000001)
4-chloro-N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]benzenesulfonamide
C30H42ClN3O5S (591.2533552000001)
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide
1-[[(2R,3S)-8-[2-(3,4-dimethoxyphenyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide
N-[(2S,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
N-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
N-[(2S,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclohexanecarboxamide
N-[(5S,6R,9R)-8-(4-chlorophenyl)sulfonyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide
N-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
4-chloro-N-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]benzenesulfonamide
C30H42ClN3O5S (591.2533552000001)
N-[(2S,3R)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
4-chloro-N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]benzenesulfonamide
C30H42ClN3O5S (591.2533552000001)
4-chloro-N-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]benzenesulfonamide
C30H42ClN3O5S (591.2533552000001)
N-[(2S,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclohexanecarboxamide
N-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclohexanecarboxamide
N-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclohexanecarboxamide
N-[(2S,3R)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclohexanecarboxamide
N-[(2R,3R)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclohexanecarboxamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide
[(1R)-7-methoxy-2-[(2-methoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]methanol
C32H37N3O6S (591.2402942000001)
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(1S,2R,3S,4S,5R,6S)-2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl] hydrogen phosphate
(2S)-6-(2,4-dinitroanilino)-2-[6-(2,4-dinitroanilino)hexanoylamino]hexanoic acid
P53R3
P53R3 is a potent p53 reactivator and restores sequence-specific DNA binding of p53 hot spot mutants, including p53R175H, p53R248W?and p53R273H. P53R3 induces p53-dependent antiproliferative effects with much higher specificity than PRIMA-1. P53R3 enhances the recruitment of wild-type p53 and p53M237I?to several target gene promoters. P53R3 strongly enhances the mRNA, total protein and cell surface expression of the death receptor death receptor 5 (DR5). P53R3 is used for cancer research[1].
6-(2,6-dimethylhepta-1,5-dien-1-yl)-8-(3,7-dimethylocta-2,6-dien-1-yl)-10-hydroxy-1,2,3,6-tetrahydro-7-oxa-4λ⁶-thia-1-azatetraphene-4,4,5,12-tetrone
C34H41NO6S (591.2654446000001)
(1s,2r,4r,5s,6r,7r,9r,12s)-4,5,12-tris(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl pyridine-3-carboxylate
C29H37NO12 (591.2315642000001)
{12-cyano-14-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15(20),17-tetraen-10-yl}methyl 2-methylbut-2-enoate
C31H33N3O9 (591.2216688000001)
(6s)-6-[(1e)-2,6-dimethylhepta-1,5-dien-1-yl]-8-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-10-hydroxy-1,2,3,6-tetrahydro-7-oxa-4λ⁶-thia-1-azatetraphene-4,4,5,12-tetrone
C34H41NO6S (591.2654446000001)
(1s,3r,4's,4ar,5s,6r,6ar,10as,10bs)-6-(benzoyloxy)-4',5-dihydroxy-4a,6a,7,10b-tetramethyl-5'-oxo-2,5,6,9,10,10a-hexahydro-1h-spiro[naphtho[2,1-b]pyran-3,3'-oxolan]-1-yl pyridine-3-carboxylate
4,5,12-tris(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl pyridine-3-carboxylate
C29H37NO12 (591.2315642000001)
[(1r,2s,10r,12r,13r)-12-cyano-16,19-dihydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,14-trioxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl (2z)-2-methylbut-2-enoate
C31H33N3O9 (591.2216688000001)
6-(benzoyloxy)-4',5-dihydroxy-4a,6a,7,10b-tetramethyl-5'-oxo-2,5,6,9,10,10a-hexahydro-1h-spiro[naphtho[2,1-b]pyran-3,3'-oxolan]-1-yl pyridine-3-carboxylate
3-[(2-{[hydroxy({2-[(1z)-6-oxocyclohexa-2,4-dien-1-ylidene]-1,3-oxazolidin-4-yl})methylidene]amino}-7-(n-hydroxyformamido)heptanoyl)oxy]-n-(1-hydroxy-2-oxoazepan-3-yl)propanimidic acid
3-(acetyloxy)-2-hydroxy-n-(4-hydroxybutyl)-10,12-dimethoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboximidic acid
{12-cyano-16,19-dihydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,14-trioxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15,17,19-pentaen-10-yl}methyl 2-methylbut-2-enoate
C31H33N3O9 (591.2216688000001)
(2s,3r,4r,5s,6r)-3-(acetyloxy)-2-hydroxy-n-(4-hydroxybutyl)-10,12-dimethoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboximidic acid
(10s,11r,12r,13s,14r)-14-(3,4-dimethoxyphenyl)-12-(dimethylcarbamoyl)-10-hydroxy-8-methoxy-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.0³,⁷.0¹⁰,¹⁴]pentadeca-1,3(7),8-trien-11-yl acetate
[(1r,2s,10r,12r,13r,14s)-12-cyano-14-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl (2z)-2-methylbut-2-enoate
C31H33N3O9 (591.2216688000001)
6-(2,6-dimethylhepta-1,5-dien-1-yl)-9-(3,7-dimethylocta-2,6-dien-1-yl)-10-hydroxy-1,2,3,6-tetrahydro-7-oxa-4λ⁶-thia-1-azatetraphene-4,4,5,12-tetrone
C34H41NO6S (591.2654446000001)
(2s)-n-[(3s)-1-hydroxy-2-oxopiperidin-3-yl]-5-(n-hydroxy-3-{[1-hydroxy-2-({hydroxy[(4r)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methylidene}amino)ethylidene]amino}propanamido)-2-(methylamino)pentanimidic acid
(1r,9s,11s,14e,15s,17s,19r)-19-[(3,4-dimethoxybenzoyloxy)methyl]-14-ethylidene-6-methoxy-19-(methoxycarbonyl)-2,12-dimethyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-trien-12-ium
(2r)-n-[(3r)-1-hydroxy-2-oxopiperidin-3-yl]-5-(n-hydroxy-3-{[1-hydroxy-2-({hydroxy[(4s)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methylidene}amino)ethylidene]amino}propanamido)-2-(methylamino)pentanimidic acid
14-(3,4-dimethoxyphenyl)-12-(dimethylcarbamoyl)-10-hydroxy-8-methoxy-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.0³,⁷.0¹⁰,¹⁴]pentadeca-1,3(7),8-trien-11-yl acetate
(1s,2s,4s,5r,6r,7s,9r,12r)-4,5,12-tris(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl pyridine-3-carboxylate
C29H37NO12 (591.2315642000001)
(6r)-6-[(1e)-2,6-dimethylhepta-1,5-dien-1-yl]-9-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-10-hydroxy-1,2,3,6-tetrahydro-7-oxa-4λ⁶-thia-1-azatetraphene-4,4,5,12-tetrone
C34H41NO6S (591.2654446000001)