Exact Mass: 579.2152715120001
Exact Mass Matches: 579.2152715120001
Found 246 metabolites which its exact mass value is equals to given mass value 579.2152715120001
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pelargonidin 3-rutinoside
Pelargonidin 3-rutinoside 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-rutinoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pelargonidin 3-rutinoside can be found in a number of food items such as gooseberry, lowbush blueberry, black chokeberry, and redcurrant, which makes pelargonidin 3-rutinoside a potential biomarker for the consumption of these food products.
Pelargonidin 3-rhamnoside 5-glucoside
Pelargonidin 3-rhamnoside 5-glucoside is found in common pea. Pelargonidin 3-rhamnoside 5-glucoside is isolated from Pisum species. Isolated from Pisum subspecies Pelargonidin 3-rhamnoside 5-glucoside is found in pulses and common pea.
Taurochenodeoxycholate-3-sulfate
C26H45NO9S2 (579.2535600000001)
Taurochenodeoxycholate-3-sulfate is a bile salt formed in the liver by conjugation of chenodeoxycholate with taurine, usually as the sodium salt. Under normal circumstances, bile acid sulfation is a minor pathway. However in the presence of cholestasis, the fraction of the bile acid pool which is sulfated increases. Sulfation of bile acids increases the aqueous solubility of the amphipathic compounds and results in more efficient renal clearance as well as in decreased reabsorption from the intestinal lumen. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute, depending only on the presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g. membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues (PMID: 11316487, 16037564, 12576301, 11907135). Taurochenodeoxycholate-3-sulfate is a bile salt formed in the liver by conjugation of chenodeoxycholate with taurine, usually as the sodium salt. Under normal circumstances, bile acid sulfation is a minor pathway. However in the presence of cholestasis, the fraction of the bile acid pool which is sulfated increases. Sulfation of bile acids increases the aqueous solubility of the amphipathic compounds and results in more efficient renal clearance as well as in decreased reabsorption from the intestinal lumen. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g., membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues. (PMID: 11316487, 16037564, 12576301, 11907135) [HMDB] Taurochenodeoxycholate-3-sulfate is a bile salt found in urine[1].
Taurochenodeoxycholate-7-sulfate
C26H45NO9S2 (579.2535600000001)
Taurochenodeoxycholate-7-sulfate is a sulfated bile acid. Under normal circumstances, bile acid sulfation is a minor pathway. However in the presence of cholestasis, the fraction of the bile acid pool which is sulfated increases. Sulfation of bile acids increases the aqueous solubility of the amphipathic compounds and results in more efficient renal clearance as well as in decreased reabsorption from the intestinal lumen. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute, depending only on the presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g. membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues (PMID: 11316487, 16037564, 12576301, 11907135). Taurochenodeoxycholate-7-sulfate is a sulfated bile acid. Under normal circumstances, bile acid sulfation is a minor pathway. However in the presence of cholestasis, the fraction of the bile acid pool which is sulfated increases. Sulfation of bile acids increases the aqueous solubility of the amphipathic compounds and results in more efficient renal clearance as well as in decreased reabsorption from the intestinal lumen. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g., membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues. (PMID: 11316487, 16037564, 12576301, 11907135) [HMDB] D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
Z-Gly-Gly-Arg-AMC
Rzedowskin D
Celapanigine
4-O-beta-D-glucopyranosyllinearoside
C27H33NO13 (579.1951808000001)
1beta,2beta-diacetoxy-9alpha-benzoyloxy-13-nicotinoyloxy-beta-dihydroagarofuran
4,6-Diacetoxy-5a-(benzoyloxymethyl)-5-(3-pyridylcarbonyloxy)-2H-3,9a-methano-3,4,5,5a,6,7,8,9-octahydro-2,2,9-trimethyl-1-benzooxepin
4,6-Diacetoxy-10-(benzoyloxy)-5-(3-pyridylcarbonyloxy)-2H-3,9a-methano-3,4,5,5a,6,7,8,9-octahydro-2,2,5a,9-tetramethyl-1-benzooxepin
Tauroursodeoxycholate-3-sulfate
C26H45NO9S2 (579.2535600000001)
BA-151-120. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-151-90. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-151-60. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-151-30. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan.
3a-Sulfooxy-12a-hydroxy-5b-cholan-24-oyl-taurine
C26H45NO9S2 (579.2535600000001)
BA-152-150. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-152-120. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-152-90. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-152-60. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-152-30. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan.
2-((4R)-4-((3R,5R,7R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid
C26H45NO9S2 (579.2535600000001)
2-((4R)-4-((3R,5R,9S,10S,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3-(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid
C26H45NO9S2 (579.2535600000001)
2-((4R)-4-((3R,5R,7S,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid
C26H45NO9S2 (579.2535600000001)
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Taurochenodeoxycholic acid 7-sulfate
C26H45NO9S2 (579.2535600000001)
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
2-[[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]amino], Ethanesulfonic acid
C26H45NO9S2 (579.2535600000001)
2-[[(3a,5b,12a)-3-hydroxy-24-oxo-12-(sulfooxy)cholan-24-yl]amino]-Ethanesulfonic acid
C26H45NO9S2 (579.2535600000001)
2-[[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino]-Ethanesulfonic acid
C26H45NO9S2 (579.2535600000001)
2-[[(3a,5b,12a)-12-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino]-Ethanesulfonic acid
C26H45NO9S2 (579.2535600000001)
Ethanesulfonic acid, 2-[[(3a,5b,7a)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]amino]
C26H45NO9S2 (579.2535600000001)
Pelargonidin 3-rhamnoside 5-glucoside
Taurochenodeoxycholic acid 3-sulfate
C26H45NO9S2 (579.2535600000001)
TG 100801
Droloxifene citrate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D020011 - Protective Agents > D000975 - Antioxidants D000970 - Antineoplastic Agents C1892 - Chemopreventive Agent
rac-8,14-Bis(tert-butyldimethylsilyloxy) Efavirenz-d4
C26H33ClD4F3NO4Si2 (579.2152715120001)
N-Acetyl-N-[1-(1,1-biphenyl-4-ylmethyl)-2-oxoazepan-3-YL]-O-phosphonotyrosinamide
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
3alpha-Sulfooxy-7alpha-hydroxy-5beta-cholan-24-oyl-taurine
C26H45NO9S2 (579.2535600000001)
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids Taurochenodeoxycholate-3-sulfate is a bile salt found in urine[1].
3alpha-Sulfooxy-12alpha-hydroxy-5beta-cholan-24-oyl-taurine
C26H45NO9S2 (579.2535600000001)
Lonijaposide H
C27H33NO13 (579.1951808000001)
A natural product found in Lonicera japonica.
N2-[1-[methyl-(phenylmethyl)amino]-3-(2-naphthalenyl)-1-oxopropan-2-yl]-N1-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide
C33H33N5O5 (579.2481568000001)
2-{benzyl[(4-methylphenyl)sulfonyl]amino}-N-(2-{[(2-furylmethyl)amino]carbonyl}phenyl)benzamide
C33H29N3O5S (579.1827824000001)
N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,1-dimethylimidazole-4-sulfonamide
(5S,6R,9R)-N-(2-chlorophenyl)-5-methoxy-3,6,9-trimethyl-2-oxo-14-(pyridine-2-carbonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
C30H34ClN5O5 (579.2248344000001)
N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,1-dimethylimidazole-4-sulfonamide
N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,1-dimethylimidazole-4-sulfonamide
(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(pyridin-4-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
C33H33N5O3S (579.2303988000001)
2-[(2R,4aS,12aS)-8-[[(3-cyanoanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
C33H33N5O5 (579.2481568000001)
N-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,1-dimethylimidazole-4-sulfonamide
N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,1-dimethylimidazole-4-sulfonamide
(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(pyridin-4-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
C33H33N5O3S (579.2303988000001)
N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,1-dimethylimidazole-4-sulfonamide
N-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
N-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,1-dimethylimidazole-4-sulfonamide
(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(pyridin-4-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
C33H33N5O3S (579.2303988000001)
(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(pyridin-4-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
C33H33N5O3S (579.2303988000001)
(2S,3S,4S,5R)-6-[2-[2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]ethyl-ethylamino]ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
C27H31ClFN3O8 (579.1783608000001)
2-[[(4R)-4-[(3R,5S,7R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-7-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
C26H45NO9S2 (579.2535600000001)
2-((4R)-4-((3R,5R,7R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid
C26H45NO9S2 (579.2535600000001)
2-((4R)-4-((3R,5R,9S,10S,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3-(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid
C26H45NO9S2 (579.2535600000001)
Taurochenodeoxycholate-7-sulfate
C26H45NO9S2 (579.2535600000001)
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
Pelargonidin 3-O-rutinoside
An anthocyanin cation consisting of pelargonidin having a rutinosyl [6-deoxy-alpha-L-mannosyl-(1->6)-beta-D-glucosyl] residue attached at the 3-hydroxy position.
Tauroursodeoxycholic acid 3-sulfate
C26H45NO9S2 (579.2535600000001)
methyl (4s,5s,6s)-4-{[(1r)-2-acetyl-6-hydroxy-7-methoxy-3,4-dihydro-1h-isoquinolin-1-yl]methyl}-5-ethenyl-6-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
C28H37NO12 (579.2315642000001)