Exact Mass: 563.258645
Exact Mass Matches: 563.258645
Found 489 metabolites which its exact mass value is equals to given mass value 563.258645
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Taurolithocholate 3-sulfate
Taurolithocholic acid 3-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). Taurolithocholic acid 3-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 KEIO_ID T072
Fosinopril
Fosinopril is a phosphinic acid-containing ester prodrug that belongs to the angiotensin-converting enzyme (ACE) inhibitor class of medications. It is rapidly hydrolyzed to fosinoprilat, its principle active metabolite. Fosinoprilat inhibits ACE, the enzyme responsible for the conversion of angiotensin I (ATI) to angiotensin II (ATII). ATII regulates blood pressure and is a key component of the renin-angiotensin-aldosterone system (RAAS). Fosinopril may be used to treat mild to moderate hypertension, as an adjunct in the treatment of congestive heart failure, and to slow the rate of progression of renal disease in hypertensive individuals with diabetes mellitus and microalbuminuria or overt nephropathy. C - Cardiovascular system > C09 - Agents acting on the renin-angiotensin system > C09A - Ace inhibitors, plain > C09AA - Ace inhibitors, plain D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3324
UR-12947
C26H37N5O5S2 (563.2235992000001)
Alpha-Hydroxy-tamoxifen-O-glucuronide
Alpha-Hydroxy-tamoxifen-O-glucuronide is a metabolite of tamoxifen. Tamoxifen is an antagonist of the estrogen receptor in breast tissue via its active metabolite, hydroxytamoxifen. In other tissues such as the endometrium, it behaves as an agonist, and thus may be characterized as a mixed agonist/antagonist. Tamoxifen is the usual endocrine therapy for hormone receptor-positive breast cancer in pre-menopausal women, and is also a standard in post-menopausal women although aromatase inhibitors are also frequently used in that setting. (Wikipedia)
4-Hydroxytamoxifen-O-glucuronide
4-Hydroxytamoxifen-O-glucuronide is a metabolite of tamoxifen. Tamoxifen is an antagonist of the estrogen receptor in breast tissue via its active metabolite, hydroxytamoxifen. In other tissues such as the endometrium, it behaves as an agonist, and thus may be characterized as a mixed agonist/antagonist. Tamoxifen is the usual endocrine therapy for hormone receptor-positive breast cancer in pre-menopausal women, and is also a standard in post-menopausal women although aromatase inhibitors are also frequently used in that setting. (Wikipedia)
(E)-3-Hydroxy Tamoxifen O-|A-D-Glucuronide
Elacridar
C1744 - Multidrug Resistance Modulator
Fosenopril
Ravidomycin
A C-glycosylated naphthoisochromene derivative obtained from Streptomyces ravidus; exhibits antibiotic and anticancer properties.
Phe Ile Arg Glu
Phe Glu Ile Arg
fosinopril
C - Cardiovascular system > C09 - Agents acting on the renin-angiotensin system > C09A - Ace inhibitors, plain > C09AA - Ace inhibitors, plain D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents CONFIDENCE standard compound; INTERNAL_ID 2247
Tamoxifen citrate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D020847 - Estrogen Receptor Modulators 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 C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor 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 D050071 - Bone Density Conservation Agents D000970 - Antineoplastic Agents C1892 - Chemopreventive Agent
3alpha-Sulfatolithocholyltaurine
BA-149-150. 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-149-120. 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-149-90. 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-149-60. 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-149-30. 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.
Cys Lys Lys Trp
C26H41N7O5S (563.2889736000001)
Cys Lys Gln Trp
Cys Lys Trp Lys
C26H41N7O5S (563.2889736000001)
Cys Lys Trp Gln
Cys Gln Lys Trp
Cys Gln Gln Trp
Cys Gln Trp Lys
Cys Gln Trp Gln
Cys Trp Lys Lys
C26H41N7O5S (563.2889736000001)
Cys Trp Lys Gln
Cys Trp Gln Lys
Cys Trp Gln Gln
Asp Phe Pro Trp
Asp Phe Trp Pro
Asp His His Arg
C22H33N11O7 (563.2564308000001)
Asp His Arg His
C22H33N11O7 (563.2564308000001)
Asp Ile Met Trp
Asp Ile Trp Met
Asp Leu Met Trp
Asp Leu Trp Met
Asp Met Ile Trp
Asp Met Leu Trp
Asp Met Trp Ile
Asp Met Trp Leu
Asp Pro Phe Trp
Asp Pro Trp Phe
Asp Arg His His
C22H33N11O7 (563.2564308000001)
Asp Trp Phe Pro
Asp Trp Ile Met
Asp Trp Leu Met
Asp Trp Met Ile
Asp Trp Met Leu
Asp Trp Pro Phe
Glu Glu Met Arg
C21H37N7O9S (563.2373352000001)
Glu Glu Arg Met
C21H37N7O9S (563.2373352000001)
Glu Glu Thr Trp
Glu Glu Trp Thr
Glu Phe Ile Arg
Glu Phe Leu Arg
Glu Phe Arg Ile
Glu Phe Arg Leu
Glu Ile Phe Arg
Glu Ile Arg Phe
Glu Leu Phe Arg
Glu Leu Arg Phe
Glu Met Glu Arg
C21H37N7O9S (563.2373352000001)
Glu Met Arg Glu
C21H37N7O9S (563.2373352000001)
Glu Met Val Trp
Glu Met Trp Val
Glu Pro Arg Tyr
C25H37N7O8 (563.2703482000001)
Glu Pro Tyr Arg
C25H37N7O8 (563.2703482000001)
Glu Arg Glu Met
C21H37N7O9S (563.2373352000001)
Glu Arg Phe Ile
Glu Arg Phe Leu
Glu Arg Ile Phe
Glu Arg Leu Phe
Glu Arg Met Glu
C21H37N7O9S (563.2373352000001)
Glu Arg Pro Tyr
C25H37N7O8 (563.2703482000001)
Glu Arg Tyr Pro
C25H37N7O8 (563.2703482000001)
Glu Thr Glu Trp
Glu Thr Trp Glu
Glu Val Met Trp
Glu Val Trp Met
Glu Trp Glu Thr
Glu Trp Met Val
Glu Trp Thr Glu
Glu Trp Val Met
Glu Tyr Pro Arg
C25H37N7O8 (563.2703482000001)
Glu Tyr Arg Pro
C25H37N7O8 (563.2703482000001)
Phe Asp Pro Trp
Phe Asp Trp Pro
Phe Glu Leu Arg
Phe Glu Arg Ile
Phe Glu Arg Leu
Phe Phe His Asn
Phe Phe Asn His
Phe His Phe Asn
Phe His Asn Phe
Phe Ile Glu Arg
Phe Leu Glu Arg
Phe Leu Arg Glu
Phe Asn Phe His
Phe Asn His Phe
Phe Asn Gln Arg
Phe Asn Arg Gln
Phe Pro Asp Trp
Phe Pro Trp Asp
Phe Gln Asn Arg
Phe Gln Arg Asn
Phe Arg Glu Ile
Phe Arg Glu Leu
Phe Arg Ile Glu
Phe Arg Leu Glu
Phe Arg Asn Gln
Phe Arg Gln Asn
Phe Trp Asp Pro
Phe Trp Pro Asp
His Asp His Arg
C22H33N11O7 (563.2564308000001)
His Asp Arg His
C22H33N11O7 (563.2564308000001)
His Phe Phe Asn
His Phe Asn Phe
His His Asp Arg
C22H33N11O7 (563.2564308000001)
His His Arg Asp
C22H33N11O7 (563.2564308000001)
His Met Asn Tyr
His Met Tyr Asn
His Asn Phe Phe
His Asn Met Tyr
His Asn Tyr Met
His Arg Asp His
C22H33N11O7 (563.2564308000001)
His Arg His Asp
C22H33N11O7 (563.2564308000001)
His Tyr Met Asn
His Tyr Asn Met
Ile Asp Met Trp
Ile Asp Trp Met
Ile Glu Phe Arg
Ile Glu Arg Phe
Ile Phe Glu Arg
Ile Phe Arg Glu
Ile Met Asp Trp
Ile Met Trp Asp
Ile Arg Glu Phe
Ile Arg Phe Glu
Ile Trp Asp Met
Ile Trp Met Asp
Lys Cys Lys Trp
C26H41N7O5S (563.2889736000001)
Lys Cys Gln Trp
Lys Cys Trp Lys
C26H41N7O5S (563.2889736000001)
Lys Cys Trp Gln
Lys Lys Cys Trp
C26H41N7O5S (563.2889736000001)
Lys Lys Trp Cys
C26H41N7O5S (563.2889736000001)
Lys Gln Cys Trp
Lys Gln Trp Cys
Lys Trp Cys Lys
C26H41N7O5S (563.2889736000001)
Lys Trp Cys Gln
Lys Trp Lys Cys
C26H41N7O5S (563.2889736000001)
Lys Trp Gln Cys
Leu Asp Met Trp
Leu Asp Trp Met
Leu Glu Phe Arg
Leu Glu Arg Phe
Leu Phe Glu Arg
Leu Phe Arg Glu
Leu Met Asp Trp
Leu Met Trp Asp
Leu Arg Glu Phe
Leu Arg Phe Glu
Leu Trp Asp Met
Leu Trp Met Asp
Met Asp Ile Trp
Met Asp Leu Trp
Met Asp Trp Ile
Met Asp Trp Leu
Met Glu Glu Arg
C21H37N7O9S (563.2373352000001)
Met Glu Arg Glu
C21H37N7O9S (563.2373352000001)
Met Glu Val Trp
Met Glu Trp Val
Met His Asn Tyr
Met His Tyr Asn
Met Ile Asp Trp
Met Ile Trp Asp
Met Leu Asp Trp
Met Leu Trp Asp
Met Met Pro Trp
C26H37N5O5S2 (563.2235992000001)
Met Met Trp Pro
C26H37N5O5S2 (563.2235992000001)
Met Asn His Tyr
Met Asn Asn Trp
Met Asn Trp Asn
Met Asn Tyr His
Met Pro Met Trp
C26H37N5O5S2 (563.2235992000001)
Met Pro Trp Met
C26H37N5O5S2 (563.2235992000001)
Met Arg Glu Glu
C21H37N7O9S (563.2373352000001)
Met Val Glu Trp
Met Val Trp Glu
Met Trp Asp Ile
Met Trp Asp Leu
Met Trp Glu Val
Met Trp Ile Asp
Met Trp Leu Asp
Met Trp Met Pro
C26H37N5O5S2 (563.2235992000001)
Met Trp Asn Asn
Met Trp Pro Met
C26H37N5O5S2 (563.2235992000001)
Met Trp Val Glu
Met Tyr His Asn
Met Tyr Asn His
Asn Phe Phe His
Asn Phe His Phe
Asn Phe Gln Arg
Asn Phe Arg Gln
Asn His Phe Phe
Asn His Met Tyr
Asn His Tyr Met
Asn Met His Tyr
Asn Met Asn Trp
Asn Met Trp Asn
Asn Met Tyr His
Asn Asn Met Trp
Asn Asn Trp Met
Asn Gln Phe Arg
Asn Gln Arg Phe
Asn Arg Phe Gln
Asn Arg Gln Phe
Asn Trp Met Asn
Asn Trp Asn Met
Asn Tyr His Met
Asn Tyr Met His
Pro Asp Phe Trp
Pro Asp Trp Phe
Pro Glu Arg Tyr
C25H37N7O8 (563.2703482000001)
Pro Glu Tyr Arg
C25H37N7O8 (563.2703482000001)
Pro Phe Asp Trp
Pro Phe Trp Asp
Pro Met Met Trp
C26H37N5O5S2 (563.2235992000001)
Pro Met Trp Met
C26H37N5O5S2 (563.2235992000001)
Pro Arg Glu Tyr
C25H37N7O8 (563.2703482000001)
Pro Arg Tyr Glu
C25H37N7O8 (563.2703482000001)
Pro Val Trp Tyr
Pro Val Tyr Trp
Pro Trp Asp Phe
Pro Trp Phe Asp
Pro Trp Met Met
C26H37N5O5S2 (563.2235992000001)
Pro Trp Val Tyr
Pro Trp Tyr Val
Pro Tyr Glu Arg
C25H37N7O8 (563.2703482000001)
Pro Tyr Arg Glu
C25H37N7O8 (563.2703482000001)
Pro Tyr Val Trp
Pro Tyr Trp Val
Gln Cys Lys Trp
Gln Cys Gln Trp
Gln Cys Trp Lys
Gln Cys Trp Gln
Gln Phe Asn Arg
Gln Phe Arg Asn
Gln Lys Cys Trp
Gln Lys Trp Cys
Gln Asn Phe Arg
Gln Asn Arg Phe
Gln Gln Cys Trp
Gln Gln Trp Cys
Gln Arg Phe Asn
Gln Arg Asn Phe
Gln Trp Cys Lys
Gln Trp Cys Gln
Gln Trp Lys Cys
Gln Trp Gln Cys
Arg Asp His His
C22H33N11O7 (563.2564308000001)
Arg Glu Glu Met
C21H37N7O9S (563.2373352000001)
Arg Glu Phe Ile
Arg Glu Phe Leu
Arg Glu Ile Phe
Arg Glu Leu Phe
Arg Glu Met Glu
C21H37N7O9S (563.2373352000001)
Arg Glu Pro Tyr
C25H37N7O8 (563.2703482000001)
Arg Glu Tyr Pro
C25H37N7O8 (563.2703482000001)
Arg Phe Glu Ile
Arg Phe Glu Leu
Arg Phe Ile Glu
Arg Phe Leu Glu
Arg Phe Asn Gln
Arg Phe Gln Asn
Arg His Asp His
C22H33N11O7 (563.2564308000001)
Arg His His Asp
C22H33N11O7 (563.2564308000001)
Arg Ile Glu Phe
Arg Ile Phe Glu
Arg Leu Glu Phe
Arg Leu Phe Glu
Arg Met Glu Glu
C21H37N7O9S (563.2373352000001)
Arg Asn Phe Gln
Arg Asn Gln Phe
Arg Pro Glu Tyr
C25H37N7O8 (563.2703482000001)
Arg Pro Tyr Glu
C25H37N7O8 (563.2703482000001)
Arg Gln Phe Asn
Arg Gln Asn Phe
Arg Tyr Glu Pro
C25H37N7O8 (563.2703482000001)
Arg Tyr Pro Glu
C25H37N7O8 (563.2703482000001)
Thr Glu Glu Trp
Thr Glu Trp Glu
Thr Trp Glu Glu
Val Glu Met Trp
Val Glu Trp Met
Val Met Glu Trp
Val Met Trp Glu
Val Pro Trp Tyr
Val Pro Tyr Trp
Val Trp Glu Met
Val Trp Met Glu
Val Trp Pro Tyr
Val Trp Tyr Pro
Val Tyr Pro Trp
Val Tyr Trp Pro
Trp Cys Lys Lys
C26H41N7O5S (563.2889736000001)
Trp Cys Lys Gln
Trp Cys Gln Lys
Trp Cys Gln Gln
Trp Asp Phe Pro
Trp Asp Ile Met
Trp Asp Leu Met
Trp Asp Met Ile
Trp Asp Met Leu
Trp Asp Pro Phe
Trp Glu Glu Thr
Trp Glu Met Val
Trp Glu Thr Glu
Trp Glu Val Met
Trp Phe Asp Pro
Trp Phe Pro Asp
Trp Ile Asp Met
Trp Ile Met Asp
Trp Lys Cys Lys
C26H41N7O5S (563.2889736000001)
Trp Lys Cys Gln
Trp Lys Lys Cys
C26H41N7O5S (563.2889736000001)
Trp Lys Gln Cys
Trp Leu Asp Met
Trp Leu Met Asp
Trp Met Asp Ile
Trp Met Asp Leu
Trp Met Glu Val
Trp Met Ile Asp
Trp Met Leu Asp
Trp Met Met Pro
C26H37N5O5S2 (563.2235992000001)
Trp Met Asn Asn
Trp Met Pro Met
C26H37N5O5S2 (563.2235992000001)
Trp Met Val Glu
Trp Asn Met Asn
Trp Asn Asn Met
Trp Pro Asp Phe
Trp Pro Phe Asp
Trp Pro Met Met
C26H37N5O5S2 (563.2235992000001)
Trp Pro Val Tyr
Trp Pro Tyr Val
Trp Gln Cys Lys
Trp Gln Cys Gln
Trp Gln Lys Cys
Trp Gln Gln Cys
Trp Thr Glu Glu
Trp Val Glu Met
Trp Val Met Glu
Trp Val Pro Tyr
Trp Val Tyr Pro
Trp Tyr Pro Val
Trp Tyr Val Pro
Tyr Glu Pro Arg
C25H37N7O8 (563.2703482000001)
Tyr Glu Arg Pro
C25H37N7O8 (563.2703482000001)
Tyr His Met Asn
Tyr His Asn Met
Tyr Met His Asn
Tyr Met Asn His
Tyr Asn His Met
Tyr Asn Met His
Tyr Pro Glu Arg
C25H37N7O8 (563.2703482000001)
Tyr Pro Arg Glu
C25H37N7O8 (563.2703482000001)
Tyr Pro Val Trp
Tyr Pro Trp Val
Tyr Arg Glu Pro
C25H37N7O8 (563.2703482000001)
Tyr Arg Pro Glu
C25H37N7O8 (563.2703482000001)
Tyr Val Pro Trp
Tyr Val Trp Pro
Tyr Trp Pro Val
Tyr Trp Val Pro
3-[[4-[[diamino(phenylazo)phenyl]azo]-1-naphthyl]azo]-N,N,N-trimethylanilinium chloride
Trimetrexate glucuronate
C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor
disodium 4-[1-methyl-2-[(1-oxooctadec-9-enyl)amino]ethyl] 2-sulphonatosuccinate
Ethyl 4-{4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl}-alpha,alpha-dimethylbenzeneacetate hydrochloride
NNC 55-0396 dihydrochloride
D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators
[(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] dihydrogen phosphate
2-amino-N-[[(1R,2S,10R,12R,13S)-12-cyano-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]propanamide
6-[3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate
N-[(2S,3S)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide
(2S)-2-(benzenesulfonamido)-3-[[2-(4-piperidin-4-ylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbonyl]amino]propanoic acid
C26H37N5O5S2 (563.2235992000001)
Asn-Met-Trp-Asn
A tetrapeptide composed of L-asparagine, L-methionine, L-tryptophan and L-asparagine joined in sequence by peptide linkages.
2-[(2R,4aR,12aR)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide
C30H33N3O6S (563.2089958000001)
[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-morpholinyl)methanone
2-[(2R,4aR,12aS)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide
C30H33N3O6S (563.2089958000001)
N-[(4S,7R,8R)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2,2,2-trifluoroethanesulfonamide
C26H40F3N3O5S (563.2640626000001)
N-[(4R,7R,8R)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2,2,2-trifluoroethanesulfonamide
C26H40F3N3O5S (563.2640626000001)
N-[(4R,7S,8S)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2,2,2-trifluoroethanesulfonamide
C26H40F3N3O5S (563.2640626000001)
N-[(4R,7R,8S)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2,2,2-trifluoroethanesulfonamide
C26H40F3N3O5S (563.2640626000001)
N-[(2R,3S)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide
N-[(2S,3S)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide
N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
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]-2-thiophenesulfonamide
C28H41N3O5S2 (563.2487496000001)
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]-2-thiophenesulfonamide
C28H41N3O5S2 (563.2487496000001)
N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridinecarboxamide
C30H33N3O6S (563.2089958000001)
N-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridinecarboxamide
C30H33N3O6S (563.2089958000001)
N-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridinecarboxamide
C30H33N3O6S (563.2089958000001)
N-[(4S,7R,8S)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2,2,2-trifluoroethanesulfonamide
C26H40F3N3O5S (563.2640626000001)
N-[(4R,7S,8R)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2,2,2-trifluoroethanesulfonamide
C26H40F3N3O5S (563.2640626000001)
2-[(2R,4aS,12aR)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide
C30H33N3O6S (563.2089958000001)
(1S)-N1-cyclopentyl-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]-1,2-dicarboxamide
N-[(2R,3R)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide
N-[(2S,3R)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide
N-[(2S,3R)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide
N-[(2R,3S)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide
N-[(2R,3R)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide
N-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
N-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
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]-2-thiophenesulfonamide
C28H41N3O5S2 (563.2487496000001)
N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridinecarboxamide
C30H33N3O6S (563.2089958000001)
N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridinecarboxamide
C30H33N3O6S (563.2089958000001)
N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridinecarboxamide
C30H33N3O6S (563.2089958000001)
N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridinecarboxamide
C30H33N3O6S (563.2089958000001)
N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridinecarboxamide
C30H33N3O6S (563.2089958000001)
N-[(4S,7S,8R)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2,2,2-trifluoroethanesulfonamide
C26H40F3N3O5S (563.2640626000001)
N-[(4S,7S,8S)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2,2,2-trifluoroethanesulfonamide
C26H40F3N3O5S (563.2640626000001)
[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-morpholinyl)methanone
2-[(2S,4aR,12aS)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide
C30H33N3O6S (563.2089958000001)
2-[(2S,4aR,12aR)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide
C30H33N3O6S (563.2089958000001)
2-[(2S,4aS,12aR)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide
C30H33N3O6S (563.2089958000001)
2-[(2S,4aS,12aS)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide
C30H33N3O6S (563.2089958000001)
(1R)-N1-cyclopentyl-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]-1,2-dicarboxamide
[(1S)-7-methoxy-2-[(2-methoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]methanol
C30H33N3O6S (563.2089958000001)
2-amino-3-[[3-butanoyloxy-2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
2-amino-3-[[2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-propanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
(Z)-1-[2-Methyl-2,2-diphenyl-1-(2-methylphenyl)disilanyl]-2-phenyl-1,2-bis(trimethylsilyl)ethene
(2-Benzamido-3-phenylpropyl) 2-[(2-benzamido-3-phenylpropanoyl)amino]acetate
3-[[3-acetyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-aminopropanoic acid
Taurolithocholic acid 3-sulfate
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
Taurolithocholic acid sulfate
The steroid sulfate of taurolithocholic acid.
(2s,3s,4s,5s,6r)-4-(dimethylcarbamoyl)-2-hydroxy-6-(3-hydroxy-4-methoxyphenyl)-10,12-dimethoxy-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-trien-3-yl acetate
4-(dimethylcarbamoyl)-2-hydroxy-6-(3-hydroxy-4-methoxyphenyl)-10,12-dimethoxy-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-trien-3-yl acetate
2,19-dihydroxy-6,12,22-trioxo-21-(sec-butyl)-23-oxa-3,7,13,20,27-pentaazatetracyclo[22.3.1.0⁷,¹¹.0¹³,¹⁸]octacosa-2,19-diene-4-carboxylic acid
C27H41N5O8 (563.2954986000001)
(3s,6r,9r,12s,16s,18r)-6-[(3-chloro-4-hydroxyphenyl)methyl]-5,11-dihydroxy-3,7,9,12,16,18-hexamethyl-14-methylidene-1-oxa-4,7,10-triazacyclooctadeca-4,10-diene-2,8,15-trione
(3s,6r,9s,12s,16r,18s)-6-[(3-chloro-4-hydroxyphenyl)methyl]-5,11-dihydroxy-3,7,9,12,16,18-hexamethyl-14-methylidene-1-oxa-4,7,10-triazacyclooctadeca-4,10-diene-2,8,15-trione
(1s,4s,11s,18s,21s,24s)-21-[(2s)-butan-2-yl]-2,19-dihydroxy-6,12,22-trioxo-23-oxa-3,7,13,20,27-pentaazatetracyclo[22.3.1.0⁷,¹¹.0¹³,¹⁸]octacosa-2,19-diene-4-carboxylic acid
C27H41N5O8 (563.2954986000001)