Exact Mass: 595.2390498000001
Exact Mass Matches: 595.2390498000001
Found 93 metabolites which its exact mass value is equals to given mass value 595.2390498000001
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Taurocholic acid 3-sulfate
C26H45NO10S2 (595.2484750000001)
Taurocholic acid 3-sulfate is a sulfated bile acid. It is a sulfate salt of taurocholic acid and is also known as cholaic acid, cholyltaurine, or acidum cholatauricum. 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).
Maymyrsine
[3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-4,5-bis(Acetyloxy)-6-(benzoyloxy)octahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-10-yl ester 3-pyridinecarboxylic acid
Cathedulin E 8
3,4,5,5a,6,7,8,9-Octahydro-4,5-diacetoxy-6-(benzoyloxy)-10-(3-pyridylcarbonyloxy)-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzooxepin-9-ol
Nicotinic acid 6,7-diacetoxy-5-(benzoyloxy)-4-hydroxydecahydro-2,2,9-trimethyl-3,9a-methano-1-benzoxepin-5a-ylmethyl ester
(1S,4S,5S,6R,7R,8R,9R,10S)-1,8-diacetoxy-9-benzoyloxy-4-hydroxy-6-nicotinoyloxydihydro-beta-agarofuran
His Asn Tyr Tyr
C28H33N7O8 (595.2390498000001)
His Tyr Asn Tyr
C28H33N7O8 (595.2390498000001)
His Tyr Tyr Asn
C28H33N7O8 (595.2390498000001)
Met Pro Trp Tyr
Met Pro Tyr Trp
Met Trp Pro Tyr
Met Trp Tyr Pro
Met Tyr Pro Trp
Met Tyr Trp Pro
Asn His Tyr Tyr
C28H33N7O8 (595.2390498000001)
Asn Asn Trp Tyr
C28H33N7O8 (595.2390498000001)
Asn Asn Tyr Trp
C28H33N7O8 (595.2390498000001)
Asn Trp Asn Tyr
C28H33N7O8 (595.2390498000001)
Asn Trp Tyr Asn
C28H33N7O8 (595.2390498000001)
Asn Tyr His Tyr
C28H33N7O8 (595.2390498000001)
Asn Tyr Asn Trp
C28H33N7O8 (595.2390498000001)
Asn Tyr Trp Asn
C28H33N7O8 (595.2390498000001)
Asn Tyr Tyr His
C28H33N7O8 (595.2390498000001)
Pro Met Trp Tyr
Pro Met Tyr Trp
Pro Trp Met Tyr
Pro Trp Tyr Met
Pro Tyr Met Trp
Pro Tyr Trp Met
Trp Met Pro Tyr
Trp Met Tyr Pro
Trp Asn Asn Tyr
C28H33N7O8 (595.2390498000001)
Trp Asn Tyr Asn
C28H33N7O8 (595.2390498000001)
Trp Pro Met Tyr
Trp Pro Tyr Met
Trp Tyr Met Pro
Trp Tyr Asn Asn
C28H33N7O8 (595.2390498000001)
Trp Tyr Pro Met
Tyr His Asn Tyr
C28H33N7O8 (595.2390498000001)
Tyr His Tyr Asn
C28H33N7O8 (595.2390498000001)
Tyr Met Pro Trp
Tyr Met Trp Pro
Tyr Asn His Tyr
C28H33N7O8 (595.2390498000001)
Tyr Asn Asn Trp
C28H33N7O8 (595.2390498000001)
Tyr Asn Trp Asn
C28H33N7O8 (595.2390498000001)
Tyr Asn Tyr His
C28H33N7O8 (595.2390498000001)
Tyr Pro Met Trp
Tyr Pro Trp Met
Tyr Trp Met Pro
Tyr Trp Asn Asn
C28H33N7O8 (595.2390498000001)
Tyr Trp Pro Met
Tyr Tyr His Asn
C28H33N7O8 (595.2390498000001)
Tyr Tyr Asn His
C28H33N7O8 (595.2390498000001)
Taurocholate 3-sulfate
C26H45NO10S2 (595.2484750000001)
Ethanesulfonic acid, 2-[[(3a,5b,7a,12a)-3,7-dihydroxy-24-oxo-12-(sulfooxy)cholan-24-yl]amino]
C26H45NO10S2 (595.2484750000001)
Taurolagocholate-3-sulfate
C26H45NO10S2 (595.2484750000001)
4-chloro-N-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H42ClN3O6S (595.2482702000001)
4-chloro-N-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H42ClN3O6S (595.2482702000001)
4-chloro-N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H42ClN3O6S (595.2482702000001)
4-chloro-N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H42ClN3O6S (595.2482702000001)
4-chloro-N-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H42ClN3O6S (595.2482702000001)
4-chloro-N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H42ClN3O6S (595.2482702000001)
4-chloro-N-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H42ClN3O6S (595.2482702000001)
4-chloro-N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H42ClN3O6S (595.2482702000001)
4-chloro-N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H42ClN3O6S (595.2482702000001)
4-chloro-N-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H42ClN3O6S (595.2482702000001)
4-chloro-N-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H42ClN3O6S (595.2482702000001)
4-chloro-N-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H42ClN3O6S (595.2482702000001)
4-chloro-N-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H42ClN3O6S (595.2482702000001)
4-chloro-N-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H42ClN3O6S (595.2482702000001)
4-chloro-N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H42ClN3O6S (595.2482702000001)
2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-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
C26H45NO10S2 (595.2484750000001)
2-[[(4R)-4-[(3R,5R,6S,7S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-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
C26H45NO10S2 (595.2484750000001)