Exact Mass: 449.29297840000004
Exact Mass Matches: 449.29297840000004
Found 300 metabolites which its exact mass value is equals to given mass value 449.29297840000004,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Deoxycholic acid glycine conjugate
C26H43NO5 (449.31410680000005)
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
C26H43NO5 (449.31410680000005)
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].
Gentamicinc1A
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D005839 - Gentamicins C784 - Protein Synthesis Inhibitor > C2363 - Aminoglycoside Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic
Chenodeoxyglycocholic acid
C26H43NO5 (449.31410680000005)
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
C26H43NO5 (449.31410680000005)
Glycoursodeoxycholic acid
C26H43NO5 (449.31410680000005)
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.
N-Eicosapentaenoyl Phenylalanine
C29H39NO3 (449.29297840000004)
N-eicosapentaenoyl phenylalanine belongs to the class of compounds known as N-acylamides. These are molecules characterized by a fatty acyl group linked to a primary amine by an amide bond. More specifically, it is an Eicosapentaenoic acid amide of Phenylalanine. It is believed that there are more than 800 types of N-acylamides in the human body. N-acylamides fall into several categories: amino acid conjugates (e.g., those acyl amides conjugated with amino acids), neurotransmitter conjugates (e.g., those acylamides conjugated with neurotransmitters), ethanolamine conjugates (e.g., those acylamides conjugated to ethanolamine), and taurine conjugates (e.g., those acyamides conjugated to taurine). N-Eicosapentaenoyl Phenylalanine is an amino acid conjugate. N-acylamides can be classified into 9 different categories depending on the size of their acyl-group: 1) short-chain N-acylamides; 2) medium-chain N-acylamides; 3) long-chain N-acylamides; and 4) very long-chain N-acylamides; 5) hydroxy N-acylamides; 6) branched chain N-acylamides; 7) unsaturated N-acylamides; 8) dicarboxylic N-acylamides and 9) miscellaneous N-acylamides. N-Eicosapentaenoyl Phenylalanine is therefore classified as a long chain N-acylamide. N-acyl amides have a variety of signaling functions in physiology, including in cardiovascular activity, metabolic homeostasis, memory, cognition, pain, motor control and others (PMID: 15655504). N-acyl amides have also been shown to play a role in cell migration, inflammation and certain pathological conditions such as diabetes, cancer, neurodegenerative disease, and obesity (PMID: 23144998; PMID: 25136293; PMID: 28854168).N-acyl amides can be synthesized both endogenously and by gut microbiota (PMID: 28854168). N-acylamides can be biosynthesized via different routes, depending on the parent amine group. N-acyl ethanolamines (NAEs) are formed via the hydrolysis of an unusual phospholipid precursor, N-acyl-phosphatidylethanolamine (NAPE), by a specific phospholipase D. N-acyl amino acids are synthesized via a circulating peptidase M20 domain containing 1 (PM20D1), which can catalyze the bidirectional the condensation and hydrolysis of a variety of N-acyl amino acids. The degradation of N-acylamides is largely mediated by an enzyme called fatty acid amide hydrolase (FAAH), which catalyzes the hydrolysis of N-acylamides into fatty acids and the biogenic amines. Many N-acylamides are involved in lipid signaling system through interactions with transient receptor potential channels (TRP). TRP channel proteins interact with N-acyl amides such as N-arachidonoyl ethanolamide (Anandamide), N-arachidonoyl dopamine and others in an opportunistic fashion (PMID: 23178153). This signaling system has been shown to play a role in the physiological processes involved in inflammation (PMID: 25136293). Other N-acyl amides, including N-oleoyl-glutamine, have also been characterized as TRP channel antagonists (PMID: 29967167). N-acylamides have also been shown to have G-protein-coupled receptors (GPCRs) binding activity (PMID: 28854168). The study of N-acylamides is an active area of research and it is likely that many novel N-acylamides will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered for these molecules.
Chenodeoxycholylglycine
C26H43NO5 (449.31410680000005)
Deoxycholylglycine
C26H43NO5 (449.31410680000005)
4-[(S)-((2R,5S)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-methoxy-phenyl)-methyl]-N,N-diethyl-benzamide
6-(3-(Pyrrolidin-1-yl)propoxy)-2-(4-(3-(pyrrolidin-1-yl)propoxy)phenyl)benzo[d]oxazole
E6446 is a potent and orally acitve TLR7 and TLR9 antagonist, used in the research of deleterious inflammatory responses. E6446 is also a potent SCD1 inhibitor (KD: 4.61 μM), significantly inhibiting adipogenic differentiation and hepatic lipogenesis through SCD1-ATF3 signaling. E6446 also improves liver pathology in high-fat diet (HFD)-fed mice and may be useful in the study of non-alcoholic fatty liver disease (NAFLD)[1][2][3].
Gentamicin C
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D005839 - Gentamicins
Glycohyodeoxycholic acid
C26H43NO5 (449.31410680000005)
Glycohyodeoxycholic acid is a major metabolite of Hyodeoxycholic acid in humans. Glycohyodeoxycholic acid has preventative effects on gallstone formation[1][2].
Glycochenodeoxycholate
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
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.
methyl (2E,8E)-9-[3a-hydroxy-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-4-yl]-4,5-dihydroxy-8-methylnona-2,8-dienoate
(1alpha,7beta,14alpha,16beta)-20-ethyl-8-hydroxy-1,16-dimethoxy-4-methylaconitan-14-yl acetate|14-acetoxyscaconine
Norerythrostachaldin-3beta-acetat|Norerythrostachaldine 3beta-acetate
methyl (2E,8E)-9-[3a-hydroxy-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-4-yl]-4,5-dihydroxy-8-methylnona-2,8-dienoate
Glycochenodeoxycholic acid
C26H43NO5 (449.31410680000005)
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
C26H43NO5 (449.31410680000005)
Glycodeoxycholic acid
C26H43NO5 (449.31410680000005)
CONFIDENCE standard compound; INTERNAL_ID 54
Glycoursodeoxycholic acid
C26H43NO5 (449.31410680000005)
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
C26H43NO5 (449.31410680000005)
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
C26H43NO5 (449.31410680000005)
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
C26H43NO5 (449.31410680000005)
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.
methyl (2E,8E)-9-[3a-hydroxy-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-4-yl]-4,5-dihydroxy-8-methylnona-2,8-dienoate [IIN-based on: CCMSLIB00000846918]
methyl (2E,8E)-9-[3a-hydroxy-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-4-yl]-4,5-dihydroxy-8-methylnona-2,8-dienoate [IIN-based: Match]
methyl (2E,8E)-9-[3a-hydroxy-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-4-yl]-4,5-dihydroxy-8-methylnona-2,8-dienoate [IIN-based on: CCMSLIB00000846920]
Glycochenodeoxycholic acid; LC-tDDA; CE10
C26H43NO5 (449.31410680000005)
Glycochenodeoxycholic acid; LC-tDDA; CE20
C26H43NO5 (449.31410680000005)
Glycochenodeoxycholic acid; LC-tDDA; CE30
C26H43NO5 (449.31410680000005)
Glycochenodeoxycholic acid; LC-tDDA; CE40
C26H43NO5 (449.31410680000005)
Glycochenodeoxycholic acid [M+H-H4O2]+; AIF; CE0; CorrDec
C26H43NO5 (449.31410680000005)
Glycochenodeoxycholic acid [M+H-H4O2]+; AIF; CE10; CorrDec
C26H43NO5 (449.31410680000005)
Glycochenodeoxycholic acid [M+H-H4O2]+; AIF; CE30; CorrDec
C26H43NO5 (449.31410680000005)
Glycochenodeoxycholic acid [M+H-H2O]+; AIF; CE0; CorrDec
C26H43NO5 (449.31410680000005)
Glycochenodeoxycholic acid [M+H-H2O]+; AIF; CE10; CorrDec
C26H43NO5 (449.31410680000005)
Glycochenodeoxycholic acid [M+H-H2O]+; AIF; CE30; CorrDec
C26H43NO5 (449.31410680000005)
Glycochenodeoxycholic acid; AIF; CE0; CorrDec
C26H43NO5 (449.31410680000005)
Glycochenodeoxycholic acid; AIF; CE10; CorrDec
C26H43NO5 (449.31410680000005)
Glycochenodeoxycholic acid; AIF; CE30; CorrDec
C26H43NO5 (449.31410680000005)
Glycochenodeoxycholic acid; AIF; CE0; MS2Dec
C26H43NO5 (449.31410680000005)
Glycochenodeoxycholic acid; AIF; CE10; MS2Dec
C26H43NO5 (449.31410680000005)
Glycochenodeoxycholic acid; AIF; CE30; MS2Dec
C26H43NO5 (449.31410680000005)
Glycochenodeoxycholic acid [M+H-H2O]+; AIF; CE0; MS2Dec
C26H43NO5 (449.31410680000005)
Glycochenodeoxycholic acid [M+H-H2O]+; AIF; CE10; MS2Dec
C26H43NO5 (449.31410680000005)
Glycochenodeoxycholic acid [M+H-H2O]+; AIF; CE30; MS2Dec
C26H43NO5 (449.31410680000005)
Glycochenodeoxycholic acid [M+H-H4O2]+; AIF; CE0; MS2Dec
C26H43NO5 (449.31410680000005)
Glycochenodeoxycholic acid [M+H-H4O2]+; AIF; CE10; MS2Dec
C26H43NO5 (449.31410680000005)
Glycochenodeoxycholic acid [M+H-H4O2]+; AIF; CE30; MS2Dec
C26H43NO5 (449.31410680000005)
((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 (449.31410680000005)
Phe Gly Lys Val
C22H35N5O5 (449.26380600000005)
Phe Gly Val Lys
C22H35N5O5 (449.26380600000005)
Phe Lys Gly Val
C22H35N5O5 (449.26380600000005)
Phe Lys Val Gly
C22H35N5O5 (449.26380600000005)
Phe Val Gly Lys
C22H35N5O5 (449.26380600000005)
Phe Val Lys Gly
C22H35N5O5 (449.26380600000005)
Gly Phe Lys Val
C22H35N5O5 (449.26380600000005)
Gly Phe Val Lys
C22H35N5O5 (449.26380600000005)
Gly Lys Phe Val
C22H35N5O5 (449.26380600000005)
Gly Lys Val Phe
C22H35N5O5 (449.26380600000005)
Gly Val Phe Lys
C22H35N5O5 (449.26380600000005)
Gly Val Lys Phe
C22H35N5O5 (449.26380600000005)
Lys Phe Gly Val
C22H35N5O5 (449.26380600000005)
Lys Phe Val Gly
C22H35N5O5 (449.26380600000005)
Lys Gly Phe Val
C22H35N5O5 (449.26380600000005)
Lys Gly Val Phe
C22H35N5O5 (449.26380600000005)
Lys Thr Thr Thr
Lys Val Phe Gly
C22H35N5O5 (449.26380600000005)
Lys Val Gly Phe
C22H35N5O5 (449.26380600000005)
Thr Lys Thr Thr
Thr Thr Lys Thr
Thr Thr Thr Lys
Val Phe Gly Lys
C22H35N5O5 (449.26380600000005)
Val Phe Lys Gly
C22H35N5O5 (449.26380600000005)
Val Gly Phe Lys
C22H35N5O5 (449.26380600000005)
Val Gly Lys Phe
C22H35N5O5 (449.26380600000005)
Val Lys Phe Gly
C22H35N5O5 (449.26380600000005)
Val Lys Gly Phe
C22H35N5O5 (449.26380600000005)
Glycoursodeoxycholate
C26H43NO5 (449.31410680000005)
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
C26H43NO5 (449.31410680000005)
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.
3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine,azepan-2-one,benzene-1,3-dicarboxylic acid
Onapristone
C29H39NO3 (449.29297840000004)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C1891 - Progesterone Antagonist D012102 - Reproductive Control Agents > D005299 - Fertility Agents D000970 - Antineoplastic Agents
(2S)-1,3-diphenylpropyl 1-(3,3-diMethyl-2-oxopentanoyl)piperidine-2-carboxylate
C28H35NO4 (449.25659500000006)
4-(n-Butoxy)phenyl-4-trans-heptylcyclohexylbenzoate
C30H41O3- (449.30555360000005)
SNC80
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 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.
N-[(1R,2R)-2-aMinocyclohexyl]-N-(8α,9S)-cinchonan-9-yl-thiourea
C26H35N5S (449.26130300000005)
8-cyclopentyl-6-(1-hydroxyethyl)-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one
Asoprisnil
C28H35NO4 (449.25659500000006)
C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C1891 - Progesterone Antagonist
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 (449.31410680000005)
(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate
Conjugate base of (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid.
Chenodeoxycholic acid glycine conjugate
C26H43NO5 (449.31410680000005)
(3R,9R,10R)-16-(dimethylamino)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
C25H43N3O4 (449.32533980000005)
(3R,9S,10R)-16-(dimethylamino)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
C25H43N3O4 (449.32533980000005)
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoate
N-(3-((Hydroxyamino)carbonyl)-2-benzyl-1-oxoprolyl)-L-isoleucine-L-leucine
C23H35N3O6 (449.25257300000004)
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-[(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-[[(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-[(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-[(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-[(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
(3aR,4R,9bS)-N-cyclohexyl-4-(hydroxymethyl)-8-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
(10S,11R)-10-[(dimethylamino)methyl]-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one
(3aR,4S,9bS)-N-cyclohexyl-4-(hydroxymethyl)-8-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
(10R,11S)-10-[(dimethylamino)methyl]-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one
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-[(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
((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 (449.31410680000005)
(3S,9R,10S)-16-(dimethylamino)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
C25H43N3O4 (449.32533980000005)
(3R,9R,10S)-16-(dimethylamino)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
C25H43N3O4 (449.32533980000005)
(3S,9S,10S)-16-(dimethylamino)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
C25H43N3O4 (449.32533980000005)
(3R,9S,10R)-16-(dimethylamino)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
C25H43N3O4 (449.32533980000005)
N-[(5R,6R,9S)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
C23H35N3O6 (449.25257300000004)
N-[(5R,6S,9R)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
C23H35N3O6 (449.25257300000004)
N-[(5S,6R,9R)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
C23H35N3O6 (449.25257300000004)
(10R,11R)-10-[(dimethylamino)methyl]-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one
(10S,11S)-10-[(dimethylamino)methyl]-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one
[(1R)-2-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]methanol
C27H32FN3O2 (449.24784239999997)
(3S,9R,10S)-16-(dimethylamino)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
C25H43N3O4 (449.32533980000005)
(3R,9R,10S)-16-(dimethylamino)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
C25H43N3O4 (449.32533980000005)
(3S,9S,10R)-16-(dimethylamino)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
C25H43N3O4 (449.32533980000005)
(3R,9R,10R)-16-(dimethylamino)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
C25H43N3O4 (449.32533980000005)
(3R,9S,10S)-16-(dimethylamino)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
C25H43N3O4 (449.32533980000005)
(3S,9S,10S)-16-(dimethylamino)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
C25H43N3O4 (449.32533980000005)
(3S,9R,10R)-16-(dimethylamino)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
C25H43N3O4 (449.32533980000005)
(3S,9S,10R)-16-(dimethylamino)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
C25H43N3O4 (449.32533980000005)
N-[(5S,6S,9S)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
C23H35N3O6 (449.25257300000004)
N-[(5R,6S,9S)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
C23H35N3O6 (449.25257300000004)
N-[(5S,6S,9R)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
C23H35N3O6 (449.25257300000004)
N-[(5S,6R,9S)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
C23H35N3O6 (449.25257300000004)
N-[(5R,6R,9R)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
C23H35N3O6 (449.25257300000004)
(10S,11R)-10-[(dimethylamino)methyl]-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one
(3aS,4R,9bR)-N-cyclohexyl-4-(hydroxymethyl)-8-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
(10R,11R)-10-[(dimethylamino)methyl]-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one
(10S,11S)-10-[(dimethylamino)methyl]-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one
[(1S)-2-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]methanol
C27H32FN3O2 (449.24784239999997)
2-aminoethyl [3-[(9Z,12Z)-heptadeca-9,12-dienoxy]-2-hydroxypropyl] hydrogen phosphate
C22H44NO6P (449.29060940000005)
[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (9Z,12Z)-hexadeca-9,12-dienoate
C21H40NO7P (449.2542260000001)
(E)-3-hydroxy-2-(2-hydroxydodecanoylamino)dec-4-ene-1-sulfonic acid
C22H43NO6S (449.28109380000006)
3-hydroxy-2-[[(Z)-2-hydroxydodec-5-enoyl]amino]decane-1-sulfonic acid
C22H43NO6S (449.28109380000006)
3-Hydroxy-2-(undecanoylamino)dodecane-1-sulfonic acid
C23H47NO5S (449.31747720000004)
2-(Decanoylamino)-3-hydroxytridecane-1-sulfonic acid
C23H47NO5S (449.31747720000004)
2-(Dodecanoylamino)-3-hydroxyundecane-1-sulfonic acid
C23H47NO5S (449.31747720000004)
3-Hydroxy-2-(tridecanoylamino)decane-1-sulfonic acid
C23H47NO5S (449.31747720000004)
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 (449.31410680000005)
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 (449.31410680000005)
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 (449.31410680000005)
2-[hydroxy-[(4E,8E)-3-hydroxy-2-(propanoylamino)trideca-4,8-dienoxy]phosphoryl]oxyethyl-trimethylazanium
C21H42N2O6P+ (449.27803420000004)
2-[[(4E,8E)-2-acetamido-3-hydroxytetradeca-4,8-dienoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
C21H42N2O6P+ (449.27803420000004)
2-[[(4E,8E)-2-(butanoylamino)-3-hydroxydodeca-4,8-dienoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
C21H42N2O6P+ (449.27803420000004)
gentamycin C1a
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D005839 - Gentamicins C784 - Protein Synthesis Inhibitor > C2363 - Aminoglycoside Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic
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 (449.31410680000005)
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 (449.31410680000005)
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate(1-)
A monocarboxylic acid anion resulting from the removal of the from from the carboxy group of 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid.
SPHP(23:1)
Provides by LipidSearch Vendor. © Copyright 2006-2024 Thermo Fisher Scientific Inc. All rights reserved
(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 (449.31410680000005)
(3r,3ar,4r,6as,10s,12r,15r)-3-benzyl-1,12,15-trihydroxy-4,5,10,12-tetramethyl-3h,3ah,4h,6ah,9h,10h,15h-cycloundeca[d]isoindol-11-one
C28H35NO4 (449.25659500000006)
(1s,2r,3r,4s,5s,6s,8r,12r,13s,16r,19s,20r,21s)-14-ethyl-6,19,21-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-4-ol
(1s,2r,3s,4r,5s,6r,8r,9r,10s,13s,16r,17s)-11-ethyl-2,8-dihydroxy-6,16-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl acetate
methyl (1r,2s,4ar,4bs,8r,8ar,10ar)-7-{2-[2-(dimethylamino)ethoxy]-2-oxoethylidene}-2-hydroxy-1,4a,8-trimethyl-9-oxo-decahydrophenanthrene-1-carboxylate
(1s,2s,4r,5r,7s,8s,12s,13s,16r,19s,20r,21s,22s)-14-ethyl-5,19,22-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1⁴,⁷.0¹,¹³.0²,⁷.0⁸,¹².0¹⁶,²⁰]docosan-21-ol
11-ethyl-8-hydroxy-6-methoxy-13-methyl-16-(methylperoxy)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl acetate
methyl (4s,5r)-9-[(1s,3ar,4s,7s,7as)-3,3a-dihydroxy-6,7-dimethyl-1-(2-methylpropyl)-1,4,7,7a-tetrahydroisoindol-4-yl]-4,5-dihydroxy-8-methylnona-2,8-dienoate
(1s,2r,3r,4s,5s,6s,8r,12s,13s,16r,19s,20r,21s)-14-ethyl-6,19,21-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-4-ol
14-acetylgenicunine b
{"Ingredient_id": "HBIN001357","Ingredient_name": "14-acetylgenicunine b","Alias": "NA","Ingredient_formula": "C25H39NO6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "396","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1s,2r,3r,4s,5r,6s,8r,9r,10r,13r,16s,17r,18r)-4,6,8,16-tetramethoxy-13-methyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-18-yl acetate
9,10-dihydroxy-7,15-dimethyl-20-(octa-2,4-dien-1-yl)-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one
C29H39NO3 (449.29297840000004)
(5s,6s)-6-[(1e,3r,4r,6r,7z,9z)-3-(2-aminoethyl)-3,4,6-trihydroxy-10-[(1r,3s)-3-hydroxycyclohexyl]deca-1,7,9-trien-1-yl]-5-ethyl-5,6-dihydropyran-2-one
(2s,3r)-n-[(2s)-5-carbamimidamido-1-oxopentan-2-yl]-2-{[1,2-dihydroxy-4-(4-hydroxyphenyl)butylidene]amino}-3-methylpentanimidic acid
C22H35N5O5 (449.26380600000005)
(1r,2s,3s,6r,7s,8r,11s,14r,15s,17s)-8-benzyl-10-hydroxy-17-(hydroxymethyl)-1,5,6-trimethyl-19-oxa-9-azapentacyclo[13.3.1.0²,¹⁴.0³,¹¹.0⁷,¹¹]nonadeca-4,9-dien-12-one
C28H35NO4 (449.25659500000006)
(1r,3e,5r,7r,9e,11s,12r,14s,15r,16s,17r)-17-benzyl-5,19-dihydroxy-5,7,14,15-tetramethyl-13-oxa-18-azatetracyclo[9.8.0.0¹,¹⁶.0¹²,¹⁴]nonadeca-3,9,18-trien-2-one
C28H35NO4 (449.25659500000006)
n-(5-carbamimidamido-1-oxopentan-2-yl)-2-{[1,2-dihydroxy-4-(4-hydroxyphenyl)butylidene]amino}-3-methylpentanimidic acid
C22H35N5O5 (449.26380600000005)
(5s,6r,7s,10as,13s,13as,14s,16as)-14-benzyl-6,16-dihydroxy-5,7,12,13-tetramethyl-5h,6h,7h,8h,10ah,13h,13ah,14h-oxacyclododeca[3,2-d]isoindol-2-one
C28H35NO4 (449.25659500000006)
(3r,3as,4r,6ar,10r,12r,15as)-3-benzyl-1,12-dihydroxy-5-(hydroxymethyl)-4,10,12-trimethyl-3h,3ah,4h,6ah,9h,10h,11h-cycloundeca[d]isoindol-15-one
C28H35NO4 (449.25659500000006)
(1s,2r,3r,4s,5r,6s,8r,12s,16r,19s,20r,21s)-14-ethyl-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-21-ol
(1r,2s,3s,4s,5s,6r,8r,9r,10s,13r,16r,17s)-11-ethyl-8,16-dihydroxy-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl acetate
methyl 7-{2-[2-(dimethylamino)ethoxy]-2-oxoethylidene}-9-hydroxy-1,4a,8-trimethyl-10-oxo-decahydrophenanthrene-1-carboxylate
(1s,2r,3r,4s,5s,6s,8r,9r,10s,13r,16s,17r)-11-ethyl-8,16-dihydroxy-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl acetate
17-benzyl-5,19-dihydroxy-5,7,14,15-tetramethyl-13-oxa-18-azatetracyclo[9.8.0.0¹,¹⁶.0¹²,¹⁴]nonadeca-3,9,18-trien-2-one
C28H35NO4 (449.25659500000006)
14-ethyl-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-21-ol
methyl 7-{2-[2-(dimethylamino)ethoxy]-2-oxoethylidene}-2-hydroxy-1,4a,8-trimethyl-9-oxo-decahydrophenanthrene-1-carboxylate
(5s,7s,10as,13s,13as,14s,16as)-14-benzyl-5,16-dihydroxy-5,7,12,13-tetramethyl-6h,7h,8h,10ah,13h,13ah,14h-oxacyclododeca[3,2-d]isoindol-2-one
C28H35NO4 (449.25659500000006)
{[(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 (449.31410680000005)
(1s,2r,3r,4s,5r,6s,8s,9s,10r,13s,16s,17r)-11-ethyl-8,16-dihydroxy-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl acetate
14-benzyl-6,16-dihydroxy-5,7,12,13-tetramethyl-5h,6h,7h,8h,10ah,13h,13ah,14h-oxacyclododeca[3,2-d]isoindol-2-one
C28H35NO4 (449.25659500000006)
5-benzyl-3,12,14-trimethyl-2-methylidene-19-oxa-6-azapentacyclo[14.2.1.0⁴,⁸.0⁸,¹⁸.0¹¹,¹⁷]nonadeca-6,12-diene-7,9,10-triol
C28H35NO4 (449.25659500000006)
6-[3-(2-aminoethyl)-3,4,6-trihydroxy-10-(3-hydroxycyclohexyl)deca-1,7,9-trien-1-yl]-5-ethyl-5,6-dihydropyran-2-one
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 (449.31410680000005)
n-[3-chloro-2-(2-hydroxy-3-methylphenyl)prop-2-en-1-yl]-7-methoxy-n-methyltetradec-4-enamide
C26H40ClNO3 (449.26965600000005)
8-benzyl-10-hydroxy-17-(hydroxymethyl)-1,5,6-trimethyl-19-oxa-9-azapentacyclo[13.3.1.0²,¹⁴.0³,¹¹.0⁷,¹¹]nonadeca-4,9-dien-12-one
C28H35NO4 (449.25659500000006)
(1r,3as,9ar,9br,11as)-3a,6,6,9a,11a-pentamethyl-1-[5-(2-methylpropanoyl)-1h-pyrrol-3-yl]-1h,2h,3h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
2-(methylamino)ethyl 2-[7-(acetyloxy)-8-formyl-10-hydroxy-1,4b,8-trimethyl-decahydro-1h-phenanthren-2-ylidene]acetate
(1s,2r,3r,4s,5r,6s,8s,9s,10r,13s,16r,17r)-11-ethyl-8,16-dihydroxy-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl acetate
3,3-bis[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-2,6-dihydroxyquinolin-4-one
C29H39NO3 (449.29297840000004)
14-ethyl-6,19,21-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-4-ol
14-ethyl-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-20-ol
(3e,5e,7e,9r,10s,11z,13e,15e,17e,20r)-7,15-dimethyl-20-[(2e,4e)-octa-2,4-dien-1-yl]-1-azacycloicosa-1,3,5,7,11,13,15,17-octaene-2,9,10-triol
C29H39NO3 (449.29297840000004)
11-ethyl-2,8-dihydroxy-6,16-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl acetate
3-benzyl-1,12-dihydroxy-5-(hydroxymethyl)-4,10,12-trimethyl-3h,3ah,4h,6ah,9h,10h,11h-cycloundeca[d]isoindol-15-one
C28H35NO4 (449.25659500000006)
(1r,2s,3r,4s,5r,6s,8s,9s,10r,13r,16s,17r)-11-ethyl-2,8-dihydroxy-6,16-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl acetate
(4e,7s)-n-[(2e)-3-chloro-2-(2-hydroxy-3-methylphenyl)prop-2-en-1-yl]-7-methoxy-n-methyltetradec-4-enamide
C26H40ClNO3 (449.26965600000005)
(1r,2s,3s,4r,5s,6s,8s,12r,13r,16s,19r,20s,21s)-14-ethyl-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-21-ol
(3s,3ar,4s,6s,6ar,10s,12s,15as)-3-benzyl-1,6,12-trihydroxy-4,10,12-trimethyl-5-methylidene-3h,3ah,4h,6h,6ah,9h,10h,11h-cycloundeca[d]isoindol-15-one
C28H35NO4 (449.25659500000006)
(1s,2r,3r,4s,5r,6r,8r,12r,13s,16s,19s,20s)-14-ethyl-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-20-ol
(1s,2r,3r,4r,5r,6s,8s,9s,10r,13s,16s,17r)-11-ethyl-8,16-dihydroxy-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl acetate
(1r,2s,3s,4s,5r,6s,8r,12r,13s,16r,19s,20r)-14-ethyl-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-2-ol
(1s,2r,3r,4r,5r,6s,8s,9s,10r,13r,16s,17r)-11-ethyl-8-hydroxy-6-methoxy-13-methyl-16-(methylperoxy)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl acetate
11-ethyl-8,16-dihydroxy-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl acetate
1-{4-[(1r,3as,7r,9ar,9br,11as)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1h-pyrrol-2-yl}-2-methylprop-2-en-1-one
2-(methylamino)ethyl 2-[(1r,2e,4as,4br,7s,8r,8ar,10s,10as)-7-(acetyloxy)-8-formyl-10-hydroxy-1,4b,8-trimethyl-decahydro-1h-phenanthren-2-ylidene]acetate
(3r,3ar,6s,6ar,10s,12s,15r)-3-benzyl-1,6,15-trihydroxy-4,5,10,12-tetramethyl-3h,3ah,6h,6ah,9h,10h,12h,15h-cycloundeca[d]isoindol-11-one
C28H35NO4 (449.25659500000006)
methyl (1r,2s,4ar,4bs,7z,8r,8ar,10ar)-7-{2-[2-(dimethylamino)ethoxy]-2-oxoethylidene}-2-hydroxy-1,4a,8-trimethyl-9-oxo-decahydrophenanthrene-1-carboxylate
1,6,11,12-tetrahydroxy-13-methoxy-4,5,8-trimethyl-3-(2-methylpropyl)-3h,3ah,6h,6ah,9h,10h,11h,12h,13h,14h-cycloundeca[d]isoindol-15-one
4,6,8,16-tetramethoxy-13-methyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-18-yl acetate
(1s,2r,3r,4s,5r,6s,8r,12s,13s,16r,19s,20r,21s)-14-ethyl-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-21-ol
11-ethyl-4,16-dihydroxy-6,8-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-18-yl acetate
(3s,3ar,6r,6ar,15as)-1,6,11,12-tetrahydroxy-13-methoxy-4,5,8-trimethyl-3-(2-methylpropyl)-3h,3ah,6h,6ah,9h,10h,11h,12h,13h,14h-cycloundeca[d]isoindol-15-one
methyl (1s,4ar,4bs,7z,8r,8as,9r,10ar)-7-{2-[2-(dimethylamino)ethoxy]-2-oxoethylidene}-9-hydroxy-1,4a,8-trimethyl-10-oxo-decahydrophenanthrene-1-carboxylate
(1s,3s,4r,5s,8r,9s,10r,11r,14s,16r,18r)-5-benzyl-3,12,14-trimethyl-2-methylidene-19-oxa-6-azapentacyclo[14.2.1.0⁴,⁸.0⁸,¹⁸.0¹¹,¹⁷]nonadeca-6,12-diene-7,9,10-triol
C28H35NO4 (449.25659500000006)
14-ethyl-6,19-dimethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-4-ol
14-ethyl-5,19,22-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1⁴,⁷.0¹,¹³.0²,⁷.0⁸,¹².0¹⁶,²⁰]docosan-21-ol
(3e,5e,7e,11e,13e,15e,17e)-7,15-dimethyl-20-[(2e,4e)-octa-2,4-dien-1-yl]-1-azacycloicosa-1,3,5,7,11,13,15,17-octaene-2,9,10-triol
C29H39NO3 (449.29297840000004)
[(1s,2r,3r,4r,5s,6s,8s,9s,10r,13s,16r,17r)-11-ethyl-4,8-dihydroxy-6,16-dimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methyl acetate
3,3-bis(3,7-dimethylocta-2,6-dien-1-yl)-2,6-dihydroxyquinolin-4-one
C29H39NO3 (449.29297840000004)
(1s,2r,3r,4s,5s,6s,8r,12r,13s,16s,19s,20r)-14-ethyl-6,19-dimethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-4-ol
14-ethyl-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-2-ol
14-benzyl-5,16-dihydroxy-5,7,12,13-tetramethyl-6h,7h,8h,10ah,13h,13ah,14h-oxacyclododeca[3,2-d]isoindol-2-one
C28H35NO4 (449.25659500000006)