Exact Mass: 243.1372
Exact Mass Matches: 243.1372
Found 500 metabolites which its exact mass value is equals to given mass value 243.1372,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
3-Hydroxy-N-(2-oxotetrahydrofuran-3-yl)octanamide
Biotin amide
The enzyme biotinidase (EC-Number 3.5.1.12 ) is involved in the recycling of the vitamin biotin, cleaving D-biotinylamides and esters, in a reaction including biotin amide and water. (PMID 1719240, 171927). Late-onset multiple carboxylase deficiency (MCD) with biotinidase deficiency is caused by mutation in the biotinidase gene. MCD is an autosomal recessive metabolic disorder characterized primarily by cutaneous and neurologic abnormalities. Symptoms result from the patients inability to reutilize biotin, a necessary nutrient. (OMIM 253260). The enzyme biotinidase (EC-Number 3.5.1.12 ) is involved in the recycling of the vitamin biotin, cleaving D-biotinylamides and esters, in a reaction including biotin amide and water. (PMID 1719240, 171927)
2-amino-5-[1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4-one
Agomelatine
Agomelatine is structurally closely related to melatonin. Agomelatine is a potent agonist at melatonin receptors and an antagonist at serotonin-2C (5-HT2C) receptors, tested in an animal model of depression. Agomelatine was discovered and developed by the European pharmaceutical company Servier Laboratories Ltd. Servier continue to develop the drug and conduct phase III trials in the European Union. In 2005 Servier submitted Agomelatine to the European Medicines Agency (EMEA). On 27 July 2006 the Committee for Medical Products for Human Use (CHMP) of the EMEA recommended a refusal of the marketing authorisation of Valdoxan/Thymanax. The major concern was that efficacy had not been sufficiently shown. In 2006 Servier sold the rights to develop Agomelatine in the US to Novartis. The development for the US market was discontinued in October 2011. It is currently sold in Australia under the Valdoxan trade name. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants Agomelatine (S-20098) is a specific agonist of MT1 and MT2 receptors with Kis of 0.1, 0.06, 0.12, and 0.27 nM for CHO-hMT1, HEK-hMT1, CHO-hMT2, and HEK-hMT2, respectively[1]. Agomelatine is a selective 5-HT2C receptor antagonist with pKis of 6.4 and 6.2 at native (porcine) and cloned, human 5-HT2C receptors, respectively[2].
N-Undecanoylglycine
N-Undecanoylglycine is an acylglycine with C-11 fatty acid group as the acyl moiety. Acylglycines 1 possess a common amidoacetic acid moiety and are normally minor metabolites of fatty acids. Elevated levels of certain acylglycines appear in the urine and blood of patients with various fatty acid oxidation disorders. They are normally produced through the action of glycine N-acyltransferase which is an enzyme that catalyzes the chemical reaction: acyl-CoA + glycine ↔ CoA + N-acylglycine. N-Undecanoylglycine is an acylglycine with C-11 fatty acid group as the acyl moiety.
Chalciporone
7-Methyl-2-(7-oxo-1,3-nonadienyl)-3H-azepine is found in mushrooms. 7-Methyl-2-(7-oxo-1,3-nonadienyl)-3H-azepine is a constituent of the toxic mushroom Chalciporus piperatus. Pungent principle from fruit-bodies of the toxic mushroom Chalciporus piperatus. Chalciporone is found in mushrooms.
Prolyl-Lysine
Prolyl-Lysine is a dipeptide composed of proline and lysine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Prolyl-Glutamine
Prolyl-Glutamine is a dipeptide composed of proline and glutamine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Tiglylcarnitine
Tiglylcarnitine is an acylcarnitine. More specifically, it is an tiglic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. Tiglylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine Tiglylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. In particular Tiglylcarnitine is elevated in the blood or plasma of individuals with beta ketothiolase deficiency/acat1 gene mutation (PMID: 27264805, PMID: 14518824, PMID: 3435793), and ECHS1 deficiency (PMID: 31908952). It is also decreased in the blood or plasma of individuals with familial mediterranean fever (PMID: 29900937), carcinoma, lewis lung (PMID: 30839735), metabolic syndrome, type 2 diabetes mellitus, and cardiovascular diseases (PMID: 24710945). Tiglylcarnitine is also detected in the urinary organic acid and blood spot acylcarnitine profiles in patients with mitochondrial acetoacetyl-CoA thiolase (T2) deficiency, an inborn error of metabolism affecting isoleucine and ketone bodies in the catabolic process (PMID: 14518824 ). Tiglylcarnitine is found to be associated with celiac disease, which is also an inborn error of metabolism. Tiglylcarnitine has been identified in the human placenta (PMID: 32033212 ). Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews]. Tiglylcarnitine is detected in the urinary organic acid and blood spot acylcarnitine profiles in patients with
Frovatriptan
Frovatriptan, also known as Frova (trade name), belongs to a class of medications known as 5-hydroxytryptamine agonists (triptan) (PMID: 18001261). It is widely indicated for the treatment of migraine headaches with or without aura in adults (PMID: 22900951, 27103792). It works in the brain to relieve migraine symptoms including headache, pain, nausea, vomiting, sensitivity to light/sound. However, it is not used to treat patients with hemiplegic, ophthalmoplegic or basilar migraine. Frovatriptan binds with high affinity for serotonin 5-HT1B and 5-HT1D receptors, thereby relieving pain by narrowing blood vessels (PMID: 11735616, 12517245). Patient’s may experience some side effects, especially who have heart or blood vessel disease. Frovatriptan is only found in individuals who have consumed or used this drug. N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist
Glutaminylproline
Glutaminylproline is a dipeptide composed of glutamine and proline. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Lysylproline
Lysylproline is a dipeptide composed of lysine and proline. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Prolyl-Gamma-glutamate
Prolyl-Gamma-glutamate is a dipeptide composed of proline and gamma-glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
2-Ethylacryloylcarnitine
2-Ethylacryloylcarnitine is an acylcarnitine. More specifically, it is an ethacrylic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 2-Ethylacryloylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 2-Ethylacryloylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
4-Tiglylcarnitine
4-Tiglylcarnitine is an acylcarnitine. More specifically, it is an pent-4-enoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 4-Tiglylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 4-Tiglylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. In particular 4-Tiglylcarnitine is elevated in the blood or plasma of individuals with beta ketothiolase deficiency/acat1 gene mutation (PMID: 27264805, PMID: 14518824, PMID: 3435793), and ECHS1 deficiency (PMID: 31908952). It is also decreased in the blood or plasma of individuals with familial mediterranean fever (PMID: 29900937), carcinoma, lewis lung (PMID: 30839735), metabolic syndrome, type 2 diabetes mellitus, and cardiovascular diseases (PMID: 24710945). Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(3E)-Tiglylcarnitine
(3E)-Tiglylcarnitine is an acylcarnitine. More specifically, it is an (3E)-pent-3-enoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (3E)-Tiglylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine (3E)-Tiglylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. In particular (3E)-Tiglylcarnitine is elevated in the blood or plasma of individuals with beta ketothiolase deficiency/acat1 gene mutation (PMID: 27264805, PMID: 14518824, PMID: 3435793), and ECHS1 deficiency (PMID: 31908952). It is also decreased in the blood or plasma of individuals with familial mediterranean fever (PMID: 29900937), carcinoma, lewis lung (PMID: 30839735), metabolic syndrome, type 2 diabetes mellitus, and cardiovascular diseases (PMID: 24710945). Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
2-Tiglylcarnitine
2-Tiglylcarnitine is an acylcarnitine. More specifically, it is an pent-2-enoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 2-Tiglylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 2-Tiglylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. In particular 2-Tiglylcarnitine is elevated in the blood or plasma of individuals with beta ketothiolase deficiency/acat1 gene mutation (PMID: 27264805, PMID: 14518824, PMID: 3435793), and ECHS1 deficiency (PMID: 31908952). It is also decreased in the blood or plasma of individuals with familial mediterranean fever (PMID: 29900937), carcinoma, lewis lung (PMID: 30839735), metabolic syndrome, type 2 diabetes mellitus, and cardiovascular diseases (PMID: 24710945). Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
3-Methylbut-2-enoylcarnitine
3-methylbut-2-enoylcarnitine is an acylcarnitine. More specifically, it is an 3-methylbut-2-enoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-methylbut-2-enoylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 3-methylbut-2-enoylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
Benzonaphthazepine
N-Methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine
N-((1R,2S,4S)-Bicyclo[2.2.1]heptan-2-yl)-9-methyl-9H-purin-6-amine
Meluadrine
HOKU-81 (4-Hydroxytulobuterol) is one of the metabolites of Tulobuterol (HY-B1810). HOKU-81 is a potent and selective β2-adrenoceptor stimulant. HOKU-81 has bronchodilating effect[1][2].
2-Heptyl-4-hydroxyquinoline
A monohydroxyquinoline that is 4-hydroxyquinoline bearing an additional heptyl substituent at position 2.
1-Azabicyclo[2.2.2]octan-3-one, 2-[(4-methoxyphenyl)methylene]-
2(1H)-quinolinone, 4-hydroxy-1-methyl-3-(3-methyl-2-butenyl)-
(2E,4E)-N-isobutyldodeca-2,4-dien-8,10-diynamide|2-Methylpropylamide-(2E,4E)-2,4-Dodecadiene-8,10-diynoic acid|Anacydin|dodeca-2E,4E-diene-8,10-diynoic acid isobutylamide|Dodecadien-(2trans.4trans)-diin-(8.10)-saeure-(1)-isobutylamid
4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)butan-1-amine
(E)-3-(5-acetoxy-3-methylpent-2-enamido)propanoic acid|pestalotiopamide E
caerulomycin J
A pyridine alkaloid that is 2,2-bipyridine substituted by a hydroxy group at position 4 and an (acetylamino)methyl group at position 6. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity.
N-(2-methylbutyl)undeca-2E,4Z-diene-8,10-diynamide|undeca-2E,4Z-dien-8,10-diynoic acid 2-methylbutylamide|undeca-2E,4Z-diene-8,10-diynoic acid 2-methylbutylamide|undeca-2E,4Z-diene-8,10-diynoic acid-2-methylbutylamide
2,2,10-trimethyl-2,3,4,10-tetrahydro-5H-pyrano[2,3-b]quinolin-5-one
2-{[1-(2-Amino-acetyl)-pyrrolidine-2-carbonyl]-amino}-propionic acid
Agomelatine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants Agomelatine (S-20098) is a specific agonist of MT1 and MT2 receptors with Kis of 0.1, 0.06, 0.12, and 0.27 nM for CHO-hMT1, HEK-hMT1, CHO-hMT2, and HEK-hMT2, respectively[1]. Agomelatine is a selective 5-HT2C receptor antagonist with pKis of 6.4 and 6.2 at native (porcine) and cloned, human 5-HT2C receptors, respectively[2].
3-hydroxy-C8-homoserine lactone
CONFIDENCE standard compound; INTERNAL_ID 215
1-((4-amino-2-propylpyrimidin-5-yl)methyl)-2-methylpyridinium
Frovatriptan
N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist
Lys-pro
A dipeptide formed from L-lysine and L-proline residues.
Pro-GLN
A dipeptide formed from L-proline and L-glutamine residues.
Pro-lys
A dipeptide formed from L-proline and L-lysine residues.
1-O-tert-butyl 3-O-methyl (3R)-piperidine-1,3-dicarboxylate
Penthyl(5-fluro-2-oxo-1, 2-dihydropyriMidin-4-yl) carbaMate
tert-butyl N-(4,4,4-trifluoro-3-hydroxybutyl)carbamate
(1-Furan-2-yl-but-3-enyl)-(4-methoxy-phenyl)-amine
1-(tert-butoxycarbonyl)-3-methylpiperidine-3-carboxylic acid
TERT-BUTYL 2-(TRIMETHYLSILYL)PYRROLIDINE-1-CARBOXYLATE
2-METHYL-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE
1-tert-Butyl 2-methyl 2-methylpyrrolidine-1,2-dicarboxylate
3-Butynoic acid, 2-[(methoxycarbonyl)amino]-4-(trimethylsilyl)-, methyl ester
tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate
4-OXO-PIPERIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER
(4S,6R)-6-BENZYLOXYMETHYL-4-METHYL-4-VINYL-TETRAHYDRO-PYRAN-2-ONE
1-(1H-INDOLE-3-YL)-2-PYRROLIDIN-1-YL-ETHYL]-METHYL-AMINE
tert-Butyl 4-acetyl-2,2-dimethyloxazolidine-3-carboxylate
4-(3-methylbutoxy)pyridine-2-carboximidamide,hydrochloride
2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidin-2-yl]acetic acid
TERT-BUTYL 3-(HYDRAZINECARBONYL)PIPERIDINE-1-CARBOXYLATE
1,2,3,5-Tetrahydro-spiro[4H-1-benzazepine-4,1-[2]cyclopentene]-3-carboxylic acid
2-aminopropan-1-ol,propane-1,2-diol,propane-1,2,3-triol
4-((4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)benzonitrile
2-((4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)METHYL)BENZONITRILE
Cyclopentaneacetic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]- (9CI)
Methyl 5-cyclopropyl-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate
Methyl 2-amino-4-(p-tolyl)pyrimidine-5-carboxylate
1-(4-DIMETHYLAMINO-2-FLUORO-PHENYL)-3-(4-DIMETHYLIMMONIUM-2-FLUORO-CYCLOHEXA-2,5-DIEN-1-YLIDENE)-2-OXO-CYCLOBUTEN-4-OLATE
3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
3-Pyridazinecarboxylic acid, 6-[(phenylmethyl)amino]-, methyl ester
(1S,3R)-3-((TERT-BUTOXYCARBONYL)AMINO)CYCLOHEXANECARBOXYLIC ACID
2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
1-Tert-Butoxycarbonylamino-Cyclohexanecarboxylic Acid
Benzoic acid, 3-[(6-amino-3-pyridazinyl)methyl]-, methyl ester
(R)-TERT-BUTYL 2,2-DIMETHYL-4-(2-OXOETHYL)OXAZOLIDINE-3-CARBOXYLATE
(3S,4R,5R,6S)-4-OXO-PENTANOICACID4,5-BIS-BENZYLOXY-6-BENZYLOXYMETHYL-2-P-TOLYLSULFAN
1-(TERT-BUTOXYCARBONYL)-3-OXOPIPERIDINE-4-CARBOXYLIC ACID
6-ETHYL-2-METHYLQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
(S)-1-(tert-Butoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid
1-[2-(1H-Indol-3-yl)-ethyl]-5-oxo-pyrrolidine-3-carboxylicacid
tert-butyl 3-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
(3R,4R)-1-[(tert-butoxy)carbonyl]-4-ethylpyrrolidine-3-carboxyli
4-OXO-PIPERIDINE-1-CARBOXYLIC ACID 2-TRIMETHYLSILANYL-ETHYL ESTER
ETHYL 3-(4-(AMINOMETHYL)PHENYL)PROPANOATE HYDROCHLORIDE
6-BENZYL-6,7-DIHYDRO-1H-PYRROLO[3,4-D]PYRIMIDINE-2,4(3H,5H)-DIONE
tert-butyl 4-(2-methoxyethyl)piperidine-1-carboxylate
(R)-2-(1-(tert-Butoxycarbonyl)piperidin-3-yl)acetic acid
TERT-BUTYL 3-(N-HYDROXYCARBAMIMIDOYL)PIPERIDINE-1-CARBOXYLATE
(S)-ETHYL 1-(2-METHOXY-2-OXOACETYL)PIPERIDINE-2-CARBOXYLATE
1-(TERT-BUTOXYCARBONYL)-4-METHYLPIPERIDINE-3-CARBOXYLIC ACID
2-{[(tert-butoxy)carbonyl]amino}-3-cyclobutylpropanoic acid
3-(1，1-dimethylethyl)-5-(ethoxycarboxy)-methylthio-1，2，4-triazole
meluadrine
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
N-(1-Methylethyl)-3-(1-Naphthalenyloxy)-1-Propanamine
3-(dimethylamino)-1-(4-methoxyphenyl)propan-1-one hydrochloride
2-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ACETONITRILE
tert-butyl N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]carbamate
tert-butyl N-[2-oxo-2-(piperazin-1-yl)ethyl]carbamate
3-(1-(TERT-BUTOXYCARBONYL)PYRROLIDIN-3-YL)PROPANOIC ACID
6-AMINO-2-METHOXY-6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5-OL HYDROCHLORIDE
4-PHENYL-1-PIPERIDIN-4-YL-1,3-DIHYDRO-2H-IMIDAZOL-2-ONE
6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
2-amino-4-(3,4-dimethoxyphenyl)-1H-pyrrole-3-carbonitrile
5-Pyrimidinecarboxylicacid, 2-amino-4-phenyl-, ethyl ester
tert-butyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
1H-Indole,2-(1,1-dimethylethyl)-2,3-dihydro-5-(trifluoromethyl)-(9CI)
(2R,4S,5R)-TERT-BUTYL 5-(2-HYDROXYETHYL)-2-METHYLPIPERIDINE-4-CARBOXYLATE
4H-Pyrido[1,2-a]pyrimidine-3-carboxaldehyde, 4-oxo-2-(1-pyrrolidinyl)-
N-(6-AMINO-2-PYRIDINYL)-CARBAMICACIDPHENYLMETHYLESTER
tert-butyl 4-(2-oxoethoxy)piperidine-1-carboxylate
(1S,3S)-N-BOC-1-AMINOCYCLOPENTANE-3-CARBOXYLIC ACID METHYL ESTER
1-HYDROXY-2-PHENYL-4,5,6,7-TETRAHYDRO-1H-BENZO[D]IMIDAZOL-4-ONE OXIME
3-Amino-1-(4-methyl-piperazin-1-yl)-1-propanone 2HCl
Piperazine, 1-methyl-4-[(methylamino)acetyl]- (9CI)
(2S)-2-HYDROXY-3-METHYL-N-[(2S)-1-{[(1S)-3-METHYL-2-OXO-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPIN-1-YL]AMINO}-1-OXOPROPAN-2-YL]BUTANAMIDE
3-cyclobutyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
cis-3-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylic acid
2,5,8-TRIMETHYLQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
tert-butyl 6-cyanopyrrolo[2,3-b]pyridine-1-carboxylate
tert-butyl 3-(3-hydroxypropyl)piperidine-1-carboxylate
tert-butyl 2-(3-hydroxypropyl)piperidine-1-carboxylate
tert-Butyl 4-(2-hydroxyethyl)-4-methylpiperidine-1-carboxylate
methyl (E)-3-phenyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-enoate
tert-butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate
tert-butyl 4-(methylcarbamoyl)piperazine-1-carboxylate
(1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane hydrochloride
tert-Butyl 4-(3-hydroxypropyl)tetrahydro-1(2H)-pyridinecarboxylate
(S)-tert-Butyl 2,2-dimethyl-4-(2-oxoethyl)oxazolidine-3-carboxylate
Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-3-methyl-, hydrochloride (1:1)
N-(1-(2-HYDROXY-NAPHTHALEN-1-YL)-PROPYL)-ACETAMIDE
(2S,4R)-4-amino-2-methyl-5-phenylpentanoic acid hydrochloride
6-((2R,6S)-2,6-dimethylmorpholino)pyridin-3-amine hydrochloride
METHYL (2S)-2-AMINO-3-(2,4-DIMETHYLPHENYL)PROPANOATE HYDROCHLORIDE
1-(2-HYDROXYMETHYLPHENYL)PIPERIDIN-4-OL HYDROCHLORIDE
N-METHYL-1-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)METHANAMINE
TRANS-2-((TERT-BUTOXYCARBONYL)AMINO)CYCLOHEXANECARBOXYLIC ACID
(S)-2-(tert-butoxycarbonylamino)-3-cyclobutylpropanoic acid
(R)-2-(tert-butoxycarbonylamino)-3-cyclobutylpropanoic acid
1-(2,5-Dimethoxy-4-i-propylthiophenyl)-2-aminopropane
2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1-methyl-1H-indole
(S)-tert-Butyl (1-cyclohexyl-2-hydroxyethyl)carbamate
(1-OXOPROPOXY)-,S-(FLUOROMETHYL)ESTER,(6A,11A,16A,17A)-
6-METHOXY-7,8,9,10-TETRAHYDRO-6H-[1,2,5]OXADIAZOLO[3,4-C]CARBAZOLE
Ammonium citrate
Emulsifier and acidity regulator used in the food industry Citric acid triammonium (Triammonium citrate) is formed by Citric acid (HY-N1428) reacting with ammonia in a molar ratio of 1:3. Citric acid triammonium can be used as the carbon source to prepare carbon quantum dots (CDs). Citric acid triammonium with higher nitrogen components might promote the nitrogen-based functional groups in CDs, leading to a more efficient emission-color tunability[1][2].
(R)-1-tert-Butyl 2-methyl 5-oxopyrrolidine-1,2-dicarboxylate
3-Methyl-5-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)benzonitrile
1-Benzyl-4-(dimethylamino)piperidine-4-carbonitrile
Taribavirin
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent
Somantadine hydrochloride
C254 - Anti-Infective Agent > C281 - Antiviral Agent
1,3,5-Triazine-2,4-diamine, N-ethyl-N-(1-methylethyl)-6-(methylsulfinyl)-
Ethanamine, N,N-diethyl-2-(4-methylphenoxy)-, hydrochloride
N-Methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine
Amprolium ion
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents
(2E)-2-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
N-(Aminothioxomethyl)-5-oxo-1-propyl-2-pyrrolidineacetamide
3-Methylbut-2-enoylcarnitine
3-methylbut-2-enoylcarnitine is an acylcarnitine. More specifically, it is an 3-methylbut-2-enoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-methylbut-2-enoylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 3-methylbut-2-enoylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
3-Hydroxymorphinan
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4-ol
(2S)-2-amino-5-oxo-5-[[(3S)-2-oxopiperidin-3-yl]amino]pentanoic acid
S-methyl-L-ergothioneine
An amino acid betaine that is ergothioneine in which the hydrogen attached to the sulfur is replaced by a methyl group. It has been isolated from the deepwater (500-1,600 m) marine sponge Macandrewia azorica.
2-methyl-N-(2,4,6-trimethylphenyl)-3-furancarboxamide
N-(2,3-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
2-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]furan-3-carboxamide
2-Cyano-N,N-diethyl-2-(phenyl-hydrazono)-acetamidine
(2S)-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoic Acid
2-Hydroxy-3-methoxybenzaldehyde 2-pyridylhydrazone
N-(2,4-dimethylphenyl)-3-bicyclo[2.2.1]heptanecarboxamide
huperzine A(1+)
A primary ammonium ion that is the conjugate acid of huperzine A resulting from the protonation of the primary amino group; major species at pH 7.3.
(7S)-7-[propyl(prop-2-ynyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
(S)-1-((S)-2,6-Diaminohexanoyl)pyrrolidine-2-carboxylic acid
N-demethylindolmycin
A member of the class of 1,3-oxazoles that is 1,3-oxazol-4(5H)-one which is substituted at the 2 and 5-pro-S positions by amino and [(1R)-1-(1H-indol-3-yl)ethyl] groups, respectively.
3-Hydroxy-N-[(3S)-tetrahydro-2-oxo-3-furanyl]-octanamide
O-Tiglyl-L-carnitine
An O-acyl-L-carnitine compound having trans-2-methyl-2-butenoyl (tiglyl) as the acyl substituent.
2-ethylacryloylcarnitine
An O-acylcarnitine compound having 2-ethylacryloyl as the acyl substituent.
Triammonium citrate
Citric acid triammonium (Triammonium citrate) is formed by Citric acid (HY-N1428) reacting with ammonia in a molar ratio of 1:3. Citric acid triammonium can be used as the carbon source to prepare carbon quantum dots (CDs). Citric acid triammonium with higher nitrogen components might promote the nitrogen-based functional groups in CDs, leading to a more efficient emission-color tunability[1][2].
Ala-Gly-Pro
A tripeptide composed of L-alanine, glycine, and L-proline joined in sequence by peptide linkages.
O-Tiglylcarnitine
An O-acylcarnitine compound having trans-2-methyl-2-butenoyl (tiglyl) as the acyl substituent.
2-heptyl-4-quinolone
A quinolone consisting of quinolin-4(1H)-one carrying a heptyl substituent at position 2.
(3s)-3-(1h-indol-3-ylmethyl)-3,6-dihydropyrazine-2,5-diol
2-[(2s)-7-methyl-2h,3h-furo[3,2-h]isoquinolin-2-yl]propan-2-ol
(2e,4e)-n-[(2s)-2-methylbutyl]undeca-2,4-dien-8,10-diynimidic acid
(2r)-2,3,3,9-tetramethyl-2h-furo[2,3-b]quinolin-4-one
(3-hydroxybutan-2-yl)[(1e)-3-(c-hydroxycarbonimidoyl)-3-propylprop-1-en-1-yl-oxo-λ⁵-azanylidene]amine
(3s)-2,2,3,9-tetramethyl-3h-furo[2,3-b]quinolin-4-one
2-{7-methyl-2h,3h-furo[3,2-h]isoquinolin-2-yl}propan-2-ol
14-imino-6-oxa-2,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(15),9,12(16)-trien-13-one
3-Phenyl-4-azafluorene
{"Ingredient_id": "HBIN009460","Ingredient_name": "3-Phenyl-4-azafluorene","Alias": "2-Phenyl-5H-indeno[1,2-b]pyridine; 2-phenyl-5H-indeno[3,2-b]pyridine","Ingredient_formula": "C18H13N","Ingredient_Smile": "C1C2=C(C3=CC=CC=C31)N=C(C=C2)C4=CC=CC=C4","Ingredient_weight": "243.3 g/mol","OB_score": "32.9025835","CAS_id": "NA","SymMap_id": "SMIT04204","TCMID_id": "NA","TCMSP_id": "MOL001851","TCM_ID_id": "NA","PubChem_id": "618317","DrugBank_id": "NA"}
