Exact Mass: 449.3042

Exact Mass Matches: 449.3042

Found 84 metabolites which its exact mass value is equals to given mass value 449.3042, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Deoxycholic acid glycine conjugate

2-[[4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-1-oxopentyl]amino]acetic acid

C26H43NO5 (449.3141)


Deoxycholic acid glycine conjugate, or or Deoxyglycocholic acid or Deoxygcholylglycine is a bile salt formed in the liver by conjugation of deoxycholate with glycine. It usually exists as the sodium salt. Deoxygcholylglycine is a secondary bile acid produced by the action of enzymes existing in the microbial flora of the colonic environment. In hepatocytes, both primary and secondary bile acids undergo amino acid conjugation at the C-24 carboxylic acid on the side chain, and almost all bile acids in the bile duct therefore exist in a glycine conjugated form (PMID: 16949895). As a bile acid Deoxyglycocholic acid acts as a detergent to solubilize fats for absorption and is itself absorbed. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute, and depends 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). Deoxyglycocholic acid is used as a cholagogue and choleretic. Deoxycholic acid glycine conjugate, or Deoxygcholylglycine, is an acyl glycine and a bile acid-glycine conjugate. It is a secondary bile acid produced by the action of enzymes existing in the microbial flora of the colonic environment. In hepatocytes, both primary and secondary bile acids undergo amino acid conjugation at the C-24 carboxylic acid on the side chain, and almost all bile acids in the bile duct therefore exist in a glycine conjugated form (PMID:16949895). As a bile salt it acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as a cholagogue and choleretic. [HMDB] D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids D013501 - Surface-Active Agents > D003902 - Detergents Glycodeoxycholic Acid is an endogenous metabolite. Glycodeoxycholic Acid is an endogenous metabolite.

   

Glycine chenodeoxycholate

2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid

C26H43NO5 (449.3141)


Chenodeoxycholic acid glycine conjugate is an acyl glycine and a bile acid-glycine conugate. It is a secondary bile acid produced by the action of enzymes existing in the microbial flora of the colonic environment. In hepatocytes, both primary and secondary bile acids undergo amino acid conjugation at the C-24 carboxylic acid on the side chain, and almost all bile acids in the bile duct therefore exist in a glycine conjugated form (PMID: 16949895). This compound usually exists as the sodium salt and acts as a detergent to solubilize fats for absorption and is itself absorbed. It is a cholagogue and choleretic. Glycochenodeoxycholic acid (Chenodeoxycholylglycine) is a bile acid formed in the liver from chenodeoxycholate and glycine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. Glycochenodeoxycholic acid (Chenodeoxycholylglycine) induces hepatocyte apoptosis[1][2].

   

Chenodeoxyglycocholic acid

2-({4-[(2S,5R,9R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-1-hydroxypentylidene}amino)acetate

C26H43NO5 (449.3141)


Chenodeoxyglycocholic acid is a glycine conjugated bile acid. 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). Chenodeoxyglycocholic acid is a glycine conjugated bile acid. 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] COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Glycochenodeoxycholic acid (Chenodeoxycholylglycine) is a bile acid formed in the liver from chenodeoxycholate and glycine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. Glycochenodeoxycholic acid (Chenodeoxycholylglycine) induces hepatocyte apoptosis[1][2].

   

N-(3α,12α-dihydroxy-5β-cholan-24-oyl)-glycine

N-(3α,12α-dihydroxy-5β-cholan-24-oyl)-glycine

C26H43NO5 (449.3141)


   

Glycoursodeoxycholic acid

2-[(4R)-4-[(1S,2S,5R,7S,9S,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]acetic acid

C26H43NO5 (449.3141)


Glycoursodeoxycholic acid is an acyl glycine and a bile acid-glycine conjugate. It is a secondary bile acid produced by the action of enzymes existing in the microbial flora of the colonic environment. In hepatocytes, both primary and secondary bile acids undergo amino acid conjugation at the C-24 carboxylic acid on the side chain, and almost all bile acids in the bile duct therefore exist in a glycine conjugated form (PMID: 16949895). 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). Glycoursodeoxycholic acid is an acyl glycine and a bile acid-glycine conjugate. It is a secondary bile acid produced by the action of enzymes existing in the microbial flora of the colonic environment. In hepatocytes, both primary and secondary bile acids undergo amino acid conjugation at the C-24 carboxylic acid on the side chain, and almost all bile acids in the bile duct therefore exist in a glycine conjugated form (PMID:16949895). 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. D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids Glycoursodeoxycholic acid, a acyl glycine and a bile acid-glycine conjugate, is a metabolite of ursodeoxycholic acid.

   

Chenodeoxycholylglycine

2-[(4-{5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}-1-hydroxypentylidene)amino]acetate

C26H43NO5 (449.3141)


   

Deoxycholylglycine

2-[(4-{5,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}-1-hydroxypentylidene)amino]acetate

C26H43NO5 (449.3141)


   

4-[(S)-((2R,5S)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-methoxy-phenyl)-methyl]-N,N-diethyl-benzamide

4-[(S)-((2R,5S)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-methoxy-phenyl)-methyl]-N,N-diethyl-benzamide

C28H39N3O2 (449.3042)


   

Glycohyodeoxycholic acid

2-[(4-{5,8-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}-1-hydroxypentylidene)amino]acetate

C26H43NO5 (449.3141)


Glycohyodeoxycholic acid is a major metabolite of Hyodeoxycholic acid in humans. Glycohyodeoxycholic acid has preventative effects on gallstone formation[1][2].

   

Glycochenodeoxycholate

Glycochenodeoxycholic acid

C26H43NO5 (449.3141)


D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids D013501 - Surface-Active Agents > D003902 - Detergents Glycochenodeoxycholic acid (Chenodeoxycholylglycine) is a bile acid formed in the liver from chenodeoxycholate and glycine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. Glycochenodeoxycholic acid (Chenodeoxycholylglycine) induces hepatocyte apoptosis[1][2].

   

Glycodeoxycholate

N-(3alpha,12alpha-dihydroxy-5beta-cholan-24-oyl)glycine

C26H43NO5 (449.3141)


D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids D013501 - Surface-Active Agents > D003902 - Detergents Glycodeoxycholic Acid is an endogenous metabolite. Glycodeoxycholic Acid is an endogenous metabolite.

   
   

Hyodeoxycholylglycine

Hyodeoxycholylglycine

C26H43NO5 (449.3141)


   

Glycochenodeoxycholic acid

Chenodeoxycholic acid glycine conjugate

C26H43NO5 (449.3141)


A bile acid glycine conjugate having 3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl as the bile acid component. Chenodeoxycholic acid glycine conjugate is an acyl glycine and a bile acid-glycine conugate. It is a secondary bile acid produced by the action of enzymes existing in the microbial flora of the colonic environment. In hepatocytes, both primary and secondary bile acids undergo amino acid conjugation at the C-24 carboxylic acid on the side chain, and almost all bile acids in the bile duct therefore exist in a glycine conjugated form (PMID:16949895). This compound usually exists as the sodium salt and acts as a detergent to solubilize fats for absorption and is itself absorbed. It is a cholagogue and choleretic. [HMDB] Glycochenodeoxycholic acid (Chenodeoxycholylglycine) is a bile acid formed in the liver from chenodeoxycholate and glycine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. Glycochenodeoxycholic acid (Chenodeoxycholylglycine) induces hepatocyte apoptosis[1][2].

   

deoxycholic acid glycine conjugate

deoxycholic acid glycine conjugate

C26H43NO5 (449.3141)


   

Glycodeoxycholic acid

N-(3alpha,12alpha-Dihydroxy-24-oxocholane-24-yl)glycine

C26H43NO5 (449.3141)


CONFIDENCE standard compound; INTERNAL_ID 54

   

Glycoursodeoxycholic acid

Glycoursodeoxycholic acid

C26H43NO5 (449.3141)


D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts A bile acid glycine conjugate derived from ursoodeoxycholic acid. D005765 - Gastrointestinal Agents > D002793 - Cholic Acids CONFIDENCE standard compound; INTERNAL_ID 55 Glycoursodeoxycholic acid, a acyl glycine and a bile acid-glycine conjugate, is a metabolite of ursodeoxycholic acid.

   

Glycohyodeoxycholic acid

Glycohyodeoxycholic acid

C26H43NO5 (449.3141)


D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids CONFIDENCE standard compound; INTERNAL_ID 82 Glycohyodeoxycholic acid is a major metabolite of Hyodeoxycholic acid in humans. Glycohyodeoxycholic acid has preventative effects on gallstone formation[1][2].

   

N-[(3a,5b,7a)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine

N-[(3a,5b,7a)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine

C26H43NO5 (449.3141)


BA-130-150. 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-130-120. 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-130-60. 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-130-30. 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.

   

N-[(3alpha,5beta,7beta)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine

N-[(3alpha,5beta,7beta)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine

C26H43NO5 (449.3141)


BA-131-90. 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-131-60. 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.

   

Glycochenodeoxycholic acid; LC-tDDA; CE10

Glycochenodeoxycholic acid; LC-tDDA; CE10

C26H43NO5 (449.3141)


   

Glycochenodeoxycholic acid; LC-tDDA; CE20

Glycochenodeoxycholic acid; LC-tDDA; CE20

C26H43NO5 (449.3141)


   

Glycochenodeoxycholic acid; LC-tDDA; CE30

Glycochenodeoxycholic acid; LC-tDDA; CE30

C26H43NO5 (449.3141)


   

Glycochenodeoxycholic acid; LC-tDDA; CE40

Glycochenodeoxycholic acid; LC-tDDA; CE40

C26H43NO5 (449.3141)


   

Glycochenodeoxycholic acid [M+H-H4O2]+; AIF; CE0; CorrDec

Glycochenodeoxycholic acid [M+H-H4O2]+; AIF; CE0; CorrDec

C26H43NO5 (449.3141)


   

Glycochenodeoxycholic acid [M+H-H4O2]+; AIF; CE10; CorrDec

Glycochenodeoxycholic acid [M+H-H4O2]+; AIF; CE10; CorrDec

C26H43NO5 (449.3141)


   

Glycochenodeoxycholic acid [M+H-H4O2]+; AIF; CE30; CorrDec

Glycochenodeoxycholic acid [M+H-H4O2]+; AIF; CE30; CorrDec

C26H43NO5 (449.3141)


   

Glycochenodeoxycholic acid [M+H-H2O]+; AIF; CE0; CorrDec

Glycochenodeoxycholic acid [M+H-H2O]+; AIF; CE0; CorrDec

C26H43NO5 (449.3141)


   

Glycochenodeoxycholic acid [M+H-H2O]+; AIF; CE10; CorrDec

Glycochenodeoxycholic acid [M+H-H2O]+; AIF; CE10; CorrDec

C26H43NO5 (449.3141)


   

Glycochenodeoxycholic acid [M+H-H2O]+; AIF; CE30; CorrDec

Glycochenodeoxycholic acid [M+H-H2O]+; AIF; CE30; CorrDec

C26H43NO5 (449.3141)


   

Glycochenodeoxycholic acid; AIF; CE0; CorrDec

Glycochenodeoxycholic acid; AIF; CE0; CorrDec

C26H43NO5 (449.3141)


   

Glycochenodeoxycholic acid; AIF; CE10; CorrDec

Glycochenodeoxycholic acid; AIF; CE10; CorrDec

C26H43NO5 (449.3141)


   

Glycochenodeoxycholic acid; AIF; CE30; CorrDec

Glycochenodeoxycholic acid; AIF; CE30; CorrDec

C26H43NO5 (449.3141)


   

Glycochenodeoxycholic acid; AIF; CE0; MS2Dec

Glycochenodeoxycholic acid; AIF; CE0; MS2Dec

C26H43NO5 (449.3141)


   

Glycochenodeoxycholic acid; AIF; CE10; MS2Dec

Glycochenodeoxycholic acid; AIF; CE10; MS2Dec

C26H43NO5 (449.3141)


   

Glycochenodeoxycholic acid; AIF; CE30; MS2Dec

Glycochenodeoxycholic acid; AIF; CE30; MS2Dec

C26H43NO5 (449.3141)


   

Glycochenodeoxycholic acid [M+H-H2O]+; AIF; CE0; MS2Dec

Glycochenodeoxycholic acid [M+H-H2O]+; AIF; CE0; MS2Dec

C26H43NO5 (449.3141)


   

Glycochenodeoxycholic acid [M+H-H2O]+; AIF; CE10; MS2Dec

Glycochenodeoxycholic acid [M+H-H2O]+; AIF; CE10; MS2Dec

C26H43NO5 (449.3141)


   

Glycochenodeoxycholic acid [M+H-H2O]+; AIF; CE30; MS2Dec

Glycochenodeoxycholic acid [M+H-H2O]+; AIF; CE30; MS2Dec

C26H43NO5 (449.3141)


   

Glycochenodeoxycholic acid [M+H-H4O2]+; AIF; CE0; MS2Dec

Glycochenodeoxycholic acid [M+H-H4O2]+; AIF; CE0; MS2Dec

C26H43NO5 (449.3141)


   

Glycochenodeoxycholic acid [M+H-H4O2]+; AIF; CE10; MS2Dec

Glycochenodeoxycholic acid [M+H-H4O2]+; AIF; CE10; MS2Dec

C26H43NO5 (449.3141)


   

Glycochenodeoxycholic acid [M+H-H4O2]+; AIF; CE30; MS2Dec

Glycochenodeoxycholic acid [M+H-H4O2]+; AIF; CE30; MS2Dec

C26H43NO5 (449.3141)


   

Glycochenodeoxycholate

Glycochenodeoxycholate

C26H43NO5 (449.3141)


   

((4R)-4-((3R,5R,9S,10S,12R,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)glycine

"((4R)-4-((3R,5R,9S,10S,12R,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)glycine"

C26H43NO5 (449.3141)


   

Glycoursodeoxycholate

N-(3alpha,7beta-dihydroxy-5beta-cholan-24-oyl)-glycine

C26H43NO5 (449.3141)


D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids Glycoursodeoxycholic acid, a acyl glycine and a bile acid-glycine conjugate, is a metabolite of ursodeoxycholic acid.

   

Glycodeoxycholate

N-(3alpha,12alpha-dihydroxy-5beta-cholan-24-oyl)glycine

C26H43NO5 (449.3141)


D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids D013501 - Surface-Active Agents > D003902 - Detergents A bile acid glycine conjugate of deoxycholic acid. Glycodeoxycholic Acid is an endogenous metabolite. Glycodeoxycholic Acid is an endogenous metabolite.

   

4-(n-Butoxy)phenyl-4-trans-heptylcyclohexylbenzoate

4-(n-Butoxy)phenyl-4-trans-heptylcyclohexylbenzoate

C30H41O3- (449.3056)


   

SNC80

4-(alpha-(4-Allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-N,N-diethylbenzamide

C28H39N3O2 (449.3042)


SNC80 (NIH 10815) is a potent, highly selective and non-peptide δ-opioid receptor agonist with a Ki of 1.78 nM and an IC50 of 2.73 nM. SNC80 also selectively activates μ-δ heteromer in HEK293 cells with an EC50 of 52.8 nM. SNC80 shows antinociceptive, antihyperalgesic and antidepressant‐like effects. SNC80 has the potential for multiple headache disorders treatment[1][2][3][4][5][6].

   

Nicodicosapent

Nicodicosapent

C28H39N3O2 (449.3042)


Nicodicosapent is a fatty acid niacin conjugate that is also an inhibitor of the sterol regulatory element binding protein (SREBP), a key regulator of cholesterol metabolism proteins such as PCSK9, HMG-CoA reductase, ATP citrate lyase, and NPC1L1.

   

Glycodeoxycholic-2,2,4,4-d4 acid

Glycodeoxycholic-2,2,4,4-d4 acid

C26H43NO5 (449.3141)


   

2-[[(4R)-4-[(3R,5S,7S,10S,13R,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid

2-[[(4R)-4-[(3R,5S,7S,10S,13R,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid

C26H43NO5 (449.3141)


   

Chenodeoxycholic acid glycine conjugate

Chenodeoxycholic acid glycine conjugate

C26H43NO5 (449.3141)


   

N-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylcyclohexanecarboxamide

N-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylcyclohexanecarboxamide

C23H39N5O4 (449.3002)


   

N-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylcyclohexanecarboxamide

N-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylcyclohexanecarboxamide

C23H39N5O4 (449.3002)


   

N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylcyclohexanecarboxamide

N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylcyclohexanecarboxamide

C23H39N5O4 (449.3002)


   

N-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylcyclohexanecarboxamide

N-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylcyclohexanecarboxamide

C23H39N5O4 (449.3002)


   

N-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylcyclohexanecarboxamide

N-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylcyclohexanecarboxamide

C23H39N5O4 (449.3002)


   

N-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylcyclohexanecarboxamide

N-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylcyclohexanecarboxamide

C23H39N5O4 (449.3002)


   

N-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylcyclohexanecarboxamide

N-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylcyclohexanecarboxamide

C23H39N5O4 (449.3002)


   

N-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylcyclohexanecarboxamide

N-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylcyclohexanecarboxamide

C23H39N5O4 (449.3002)


   

N-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylcyclohexanecarboxamide

N-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylcyclohexanecarboxamide

C23H39N5O4 (449.3002)


   

((4R)-4-((3R,5R,9S,10S,12R,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)glycine

((4R)-4-((3R,5R,9S,10S,12R,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)glycine

C26H43NO5 (449.3141)


   
   

HexCer 9:0;2O/7:0

HexCer 9:0;2O/7:0

C22H43NO8 (449.2989)


   

HexCer 8:0;2O/8:0

HexCer 8:0;2O/8:0

C22H43NO8 (449.2989)


   

HexCer 12:0;2O/4:0

HexCer 12:0;2O/4:0

C22H43NO8 (449.2989)


   

HexCer 14:0;2O/2:0

HexCer 14:0;2O/2:0

C22H43NO8 (449.2989)


   

HexCer 10:0;2O/6:0

HexCer 10:0;2O/6:0

C22H43NO8 (449.2989)


   

HexCer 13:0;2O/3:0

HexCer 13:0;2O/3:0

C22H43NO8 (449.2989)


   

HexCer 11:0;2O/5:0

HexCer 11:0;2O/5:0

C22H43NO8 (449.2989)


   

2-[4-[(3R,5S,7R,8R,9S,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]acetic acid

2-[4-[(3R,5S,7R,8R,9S,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]acetic acid

C26H43NO5 (449.3141)


   

2-[4-[(3R,5S,7S,8R,9S,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]acetic acid

2-[4-[(3R,5S,7S,8R,9S,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]acetic acid

C26H43NO5 (449.3141)


   

2-[4-[(3R,5R,8R,9S,12S,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]acetic acid

2-[4-[(3R,5R,8R,9S,12S,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]acetic acid

C26H43NO5 (449.3141)


   

2-[4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]acetic acid

2-[4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]acetic acid

C26H43NO5 (449.3141)


   

2-[4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]acetic acid

2-[4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]acetic acid

C26H43NO5 (449.3141)


   

Glycodeoxycholate

Glycodeoxycholate

C26H43NO5 (449.3141)


   

NA-2AAA 20:3(8Z,11Z,14Z)

NA-2AAA 20:3(8Z,11Z,14Z)

C26H43NO5 (449.3141)


   
   

HexCer 8:0;O2/8:0

HexCer 8:0;O2/8:0

C22H43NO8 (449.2989)


   

Glycodeoxycholic acid

Glycochenodeoxycholic acid

C26H43NO5 (449.3141)


   

ST 24:1;O3;Gly

ST 24:1;O3;Gly

C26H43NO5 (449.3141)


   

(1s,2r,3r,4s,5s,6s,8s,9s,10r,13s,16s,17r)-8-ethoxy-11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-ol

(1s,2r,3r,4s,5s,6s,8s,9s,10r,13s,16s,17r)-8-ethoxy-11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-ol

C26H43NO5 (449.3141)


   

{[(4r)-4-[(1r,3as,3br,5ar,7r,9as,9bs,11s,11ar)-7,11-dihydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl]-1-hydroxypentylidene]amino}acetic acid

{[(4r)-4-[(1r,3as,3br,5ar,7r,9as,9bs,11s,11ar)-7,11-dihydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl]-1-hydroxypentylidene]amino}acetic acid

C26H43NO5 (449.3141)


   

8-ethoxy-11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-ol

8-ethoxy-11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-ol

C26H43NO5 (449.3141)