Exact Mass: 231.12592220000002
Exact Mass Matches: 231.12592220000002
Found 500 metabolites which its exact mass value is equals to given mass value 231.12592220000002,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Aminophenazone
Aminophenazone is only found in individuals that have used or taken this drug. It is a pyrazolone with analgesic, anti-inflammatory, and antipyretic properties but has risk of agranulocytosis. A breath test with 13C-labeled aminopyrine has been used as a non-invasive measure of cytochrome P-450 metabolic activity in liver function tests. [PubChem]Aminophenazone is metabolized very slowly by normal newborn babies. In older infants, a higher amount of exhaled 13-CO2 is observed. N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BB - Pyrazolones C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic CONFIDENCE standard compound; EAWAG_UCHEM_ID 702 KEIO_ID A069; [MS3] KO008857 KEIO_ID A069; [MS2] KO008856 KEIO_ID A069
Fenfluramine
A - Alimentary tract and metabolism > A08 - Antiobesity preparations, excl. diet products > A08A - Antiobesity preparations, excl. diet products > A08AA - Centrally acting antiobesity products D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics C78272 - Agent Affecting Nervous System > C29728 - Anorexiant D049990 - Membrane Transport Modulators KEIO_ID F016; [MS2] KO009107 KEIO_ID F016
Butyrylcarnitine
Butyrylcarnitine, also known as (3R)-3-(butyryloxy)-4-(trimethylammonio)butanoate or L-carnitine butyryl ester, is classified as a member of the acylcarnitines. Acylcarnitines are organic compounds containing a fatty acid with the carboxylic acid attached to carnitine through an ester bond. Butyrylcarnitine is considered to be practically insoluble (in water) and acidic. Butyrylcarnitine is elevated in patients with short-chain acyl-CoA dehydrogenase (SCAD) deficiency, in infants with acute acidosis and generalized muscle weakness, and in middle-aged patients with chronic myopathy localized in muscle (OMIM: 201470). Butyrylcarnitine is elevated in patients with acyl-coa dehydrogenase, short-chain (SCAD) deficiencyin; in infants with acute acidosis and generalized muscle weakness; and in middle-aged patients with chronic myopathy localized in muscle. (OMIM 201470) [HMDB] Butyrylcarnitine is a metabolite in plasma, acts as a biomarker to improve the diagnosis and prognosis of heart failure, and is indicative of anomalous lipid and energy metabolism.
Indeloxazine
C14H17NO2 (231.12592220000002)
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants Same as: D08077
Metazocine
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
TRIAZIQUONE
C12H13N3O2 (231.10077180000002)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AC - Ethylene imines C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
4-Formamidoantipyrine
C12H13N3O2 (231.10077180000002)
A pyrazolone that is 1,2-dihydro-3H-pyrazol-3-one substituted by a formaylamino group at position 4, methyl groups at positions 1 and 5 and a phenyl group at position 2. It is a metabolite of aminophenazone. CONFIDENCE standard compound; INTERNAL_ID 2701 CONFIDENCE standard compound; INTERNAL_ID 4113 CONFIDENCE standard compound; EAWAG_UCHEM_ID 1038 CONFIDENCE standard compound; INTERNAL_ID 2006
Isocarboxazid
C12H13N3O2 (231.10077180000002)
Isocarboxazid is only found in individuals that have used or taken this drug. It is an MAO inhibitor that is effective in the treatment of major depression, dysthymic disorder, and atypical depression. It also is useful in the treatment of panic disorder and the phobic disorders. (From AMA, Drug Evaluations Annual, 1994, p311). Isocarboxazid works by irreversibly blocking the action of a chemical substance known as monoamine oxidase (MAO) in the nervous system. MAO subtypes A and B are involved in the metabolism of serotonin and catecholamine neurotransmitters such as epinephrine, norepinephrine, and dopamine. Isocarboxazid, as a nonselective MAO inhibitor, binds irreversibly to monoamine oxidase–A (MAO-A) and monoamine oxidase–B (MAO-B). The reduced MAO activity results in an increased concentration of these neurotransmitters in storage sites throughout the central nervous system (CNS) and sympathetic nervous system. This increased availability of one or more monoamines is the basis for the antidepressant activity of MAO inhibitors. N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AF - Monoamine oxidase inhibitors, non-selective D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
Dexfenfluramine
Dexfenfluramine, also marketed under the name Redux, is a serotoninergic anorectic drug. It was for some years in the mid-1990s approved by the United States Food and Drug Administration for the purposes of weight loss. However, following multiple concerns about the cardiovascular side-effects of the drug, such approval was withdrawn. A - Alimentary tract and metabolism > A08 - Antiobesity preparations, excl. diet products > A08A - Antiobesity preparations, excl. diet products > A08AA - Centrally acting antiobesity products D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics C78272 - Agent Affecting Nervous System > C29728 - Anorexiant D049990 - Membrane Transport Modulators
Isobutyrylcarnitine (C4)
Isobutyryl-L-carnitine is an acylcarnitine. More specifically, it is an isobutyric 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. Isobutyryl-L-carnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine isobutyryl-L-carnitine 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 isobutyryl-L-carnitine is elevated in the blood or plasma of individuals with isobutyryl-coa dehydrogenase deficiency (PMID: 20591710), glutaric aciduria type 2 (PMID: 20591710), ethylmalonic encephalopathy (PMID: 20591710), and gestational diabetes mellitus (PMID: 29626588). It is also decreased in the blood or plasma of individuals with traumatic brain injury (PMID: 23560894). Isobutyryl-L-carnitine is elevated in the urine of individuals with glutaric aciduria type 2 (PMID: 2288224), multiple acyl-CoA dehydrogenation deficiency (PMID: 3383426), and acute coronary syndrome (PMID: 30316136). 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]. Isobutyryl-L-carnitine is a product of the acyl-CoA dehydrogenases (ACADs), which are a group of mitochondrial enzymes involved in the metabolism of fatty acids or branched-chain amino acids. (OMIM 600301 ) [HMDB] Isobutyrylcarnitine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=25518-49-4 (retrieved 2024-06-29) (CAS RN: 25518-49-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Rotundine A
Rotundine A is found in root vegetables. Rotundine A is an alkaloid from the rhizomes of Cyperus rotundus (nutgrass). Alkaloid from the rhizomes of Cyperus rotundus (nutgrass). Rotundine A is found in root vegetables.
(2E,4E,6Z)-2,4,6-Decatrienoic acid dehydropiperidide
(2E,4E,6Z)-2,4,6-Decatrienoic acid dehydropiperidide is found in herbs and spices. (2E,4E,6Z)-2,4,6-Decatrienoic acid dehydropiperidide is an alkaloid from Achillea millefolium (yarrow). Alkaloid from Achillea millefolium (yarrow). (2E,4E,6Z)-2,4,6-Decatrienoic acid dehydropiperidide is found in herbs and spices.
1-(m-Methoxycinnamoyl)pyrrolidine
C14H17NO2 (231.12592220000002)
1-(m-Methoxycinnamoyl)pyrrolidine is found in beverages. 1-(m-Methoxycinnamoyl)pyrrolidine is an alkaloid from the roots of kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002). Alkaloid from the roots of kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002). 1-(m-Methoxycinnamoyl)pyrrolidine is found in beverages.
Glycyl-Arginine
Glycyl-Arginine is a dipeptide composed of glycine and arginine. 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.
gamma-Aminobutyryllysine
gamma-Aminobutyryllysine, also known as N2-(4-amino-1-oxobutyl)-lysine, belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. gamma-Aminobutyryllysine is a very strong basic compound (based on its pKa). gamma-Aminobutyryllysine is a dipeptide present in the human brain. This dipeptide occurs in much higher concentrations in the human brain than in the brains of lower mammals (PMID: 5559257). Adult brain and cerebrospinal fluid gamma-aminobutyryllysine levels and adult brain homocarnosine levels are higher than those found in children (PMID: 5031796). g-Aminobutyryl-lysine is a dipeptide present in human brain. This dipeptide occurs in much higher concentrations in human brain than in the brains of lower mammals. (PMID 5559257 )
Asparaginyl-Valine
Asparaginyl-Valine is a dipeptide composed of asparagine and valine. 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.
Valylasparagine
Valylasparagine is a dipeptide composed of valine and asparagine. 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.
Isovalerylglutamic acid
C10H17NO5 (231.11066720000002)
Isovalerylglutamic acid is an unusual mtabolite that has been found in the urine of patients with Isovaleric Acidemia due to Isovaleryl-CoA Dehydrogenase Deficiency (OMMBID: The Metabolic and Molecular Bases of Inherited Disease, Ch.93: Branched Chain Organic Acidurias). and in Multiple acyl-Co A dehydrogenation deficiency (MADD) (PMID 6862997). Isovalerylglutamate is a biomarker for the consumption of cheese. Isovalerylglutamic acid is an unusual mtabolite that has been found in the urine of patients with Isovaleric Acidemia due to Isovaleryl-CoA Dehydrogenase Deficiency (OMMBID: The Metabolic and Molecular Bases of Inherited Disease, Ch.93: Branched Chain Organic Acidurias)
Suberylglycine
C10H17NO5 (231.11066720000002)
Suberylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction: acyl-CoA + glycine < -- > CoA + N-acylglycineSuberylglycine is a dicarboxylic acid. It is formed by glycine-N-acylase catalyzed conjugation (PMID 947635). It can be used for the diagnosis of hereditary medium-chain acyl-CoA dehydrogenase deficiency (PMID 2775902). Suberylglycine is found to be associated with propionic acidemia, which is an inborn error of metabolism. Suberylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction:
Arginylglycine
Arginylglycine is a dipeptide composed of arginine and glycine. 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.
4-Formylaminoantipyrine
C12H13N3O2 (231.10077180000002)
N-Cyano-N'-(1,1-dimethylpropyl)-N'-(3-pyridinyl)guanidine
(2S)-2-Amino-7-(1-aminoethylideneamino)-5-sulfanylideneheptanoic acid
L-Proline, 1-(2-methyl-3-(methylthio)-1-oxopropyl)-, (S)-
Piperlotine A
C14H17NO2 (231.12592220000002)
Piperlotine A is a natural product found in Piper lolot and Piper sarmentosum with data available.
1-pentyl-1H-indole-3-carboxylic acid
C14H17NO2 (231.12592220000002)
7-DIETHYLAMINO-4-METHYLCOUMARIN
C14H17NO2 (231.12592220000002)
CONFIDENCE standard compound; INTERNAL_ID 432; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9213; ORIGINAL_PRECURSOR_SCAN_NO 9212 CONFIDENCE standard compound; INTERNAL_ID 432; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9233; ORIGINAL_PRECURSOR_SCAN_NO 9232 CONFIDENCE standard compound; INTERNAL_ID 432; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9257; ORIGINAL_PRECURSOR_SCAN_NO 9255 CONFIDENCE standard compound; INTERNAL_ID 432; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9269; ORIGINAL_PRECURSOR_SCAN_NO 9268 CONFIDENCE standard compound; INTERNAL_ID 432; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9251; ORIGINAL_PRECURSOR_SCAN_NO 9250 CONFIDENCE standard compound; INTERNAL_ID 432; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9278; ORIGINAL_PRECURSOR_SCAN_NO 9276 CONFIDENCE standard compound; INTERNAL_ID 2483 CONFIDENCE standard compound; INTERNAL_ID 64 CONFIDENCE standard compound; INTERNAL_ID 8843
N-cyano-N-(1,1-dimethylpropyl)-N-3-pyridinyl-guanidine
N-(8-methoxy-4-methylquinazolin-2-yl)guanidine
C11H13N5O (231.11200480000002)
O-isobutyrylcarnitine
An O-acylcarnitine having isobutyryl as the acyl substituent.
6-(3-Furyl)-3,9-dimethyl-1,3,4,8,9,9a-hexahydro-2H-quinolizine #
2-Decene-4,6-diynoic acid-2-Methylpropylamide, N-Me
(E)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
C14H17NO2 (231.12592220000002)
Me glycoside,N-Ac,N-Me-alpha-D-Pyranose-4-Amino-2,4,6-trideoxy-3-O-methyl-ribo-hexose
(Z)-N-isobutyl undeca-2-ene-8,10-diynamide|(Z)-N-isobutylundeca-2-en-8,10-diynamide|(Z)-N-isobutylundeca-2-ene-8,10-diynamide|2-Methylpropylamide-(Z)-2-Undecene-8,10-diynoic acid|undeca-2Z-en-8,10-diynoic acid isobutylamide|undeca-2Z-ene-8,10-diynoic acid isobutylamide|Z-N-isobutyl undeca-2-ene-8,10-diynamide
Acetic acid [2-methyl-4-oxoquinolin-1(4H)-yl]methyl ester
2-hydroxy-1-(1H-indol-3-yl)-4-methylpentan-3-one
C14H17NO2 (231.12592220000002)
(4aS*,8aR*,8aS*)-1,4,4a,5,6,7,8,8a,9,9a-decahydro-3,8a-dimethyl-5-methylidene-2H-benzo[f]indol-2-one|taenialactam A
1-((5R,8R)-6,7,8,9-tetrahydro-2,5-dimethyl-5H-cyclohepta[b]pyridin-8-yl)propan-1-one|rupestine B
bruceolline I
An indole alkaloid that is 1,2,3,4-tetrahydrocyclopenta[b]indole substituted by hydroxy groups at positions 2 and 6, geminal-methyl groups at position 3 and an oxo group at position 1. It has been isolated from the ethanol extract of the stems of Brucea mollis.
longipinamide A|N-isobutyl-8,10-diynoic-3Z-undecenamide
3-(2-acetyl-1H-pyrrol-1-yl)-5-(prop-2-yn-1-yl)dihydrofuran-2(3H)-one|longanlactone
3-(2-(4-hydroxyphenyl)-2-oxoethyl)-5,6-dihydropyridin-2(1h)-one
(7S)-5,6-dihydro-4-[(1R)-1-hydroxyethyl]-5H-spiro[cyclopenta[c]pyridine-7,2-furan]-5-one|plumericidine
fenfluramine
A - Alimentary tract and metabolism > A08 - Antiobesity preparations, excl. diet products > A08A - Antiobesity preparations, excl. diet products > A08AA - Centrally acting antiobesity products D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics C78272 - Agent Affecting Nervous System > C29728 - Anorexiant D049990 - Membrane Transport Modulators CONFIDENCE Parent Substance with Reference Standard (Level 1); INTERNAL_ID 600 CONFIDENCE standard compound; INTERNAL_ID 2248
Aminopyrine
N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BB - Pyrazolones C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic CONFIDENCE standard compound; INTERNAL_ID 663; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3407; ORIGINAL_PRECURSOR_SCAN_NO 3405 CONFIDENCE standard compound; INTERNAL_ID 663; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3425; ORIGINAL_PRECURSOR_SCAN_NO 3421 CONFIDENCE standard compound; INTERNAL_ID 663; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3402; ORIGINAL_PRECURSOR_SCAN_NO 3401 CONFIDENCE standard compound; INTERNAL_ID 663; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3417; ORIGINAL_PRECURSOR_SCAN_NO 3413 CONFIDENCE standard compound; INTERNAL_ID 663; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3416; ORIGINAL_PRECURSOR_SCAN_NO 3413 CONFIDENCE standard compound; INTERNAL_ID 663; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3412; ORIGINAL_PRECURSOR_SCAN_NO 3409 CONFIDENCE standard compound; INTERNAL_ID 663; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4497; ORIGINAL_PRECURSOR_SCAN_NO 4496 CONFIDENCE standard compound; INTERNAL_ID 663; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4515; ORIGINAL_PRECURSOR_SCAN_NO 4514 CONFIDENCE standard compound; INTERNAL_ID 663; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4531; ORIGINAL_PRECURSOR_SCAN_NO 4530 CONFIDENCE standard compound; INTERNAL_ID 663; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4525; ORIGINAL_PRECURSOR_SCAN_NO 4523 CONFIDENCE standard compound; INTERNAL_ID 663; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4544; ORIGINAL_PRECURSOR_SCAN_NO 4542 CONFIDENCE standard compound; INTERNAL_ID 663; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4527; ORIGINAL_PRECURSOR_SCAN_NO 4526 CONFIDENCE standard compound; INTERNAL_ID 2776 CONFIDENCE standard compound; INTERNAL_ID 4104
methyl 2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoate
2-[(2-hydroxy-3-methylbutanoyl)amino]-4-methylpentanoic acid
C14H17NO2_(2E)-3-(4-Methoxyphenyl)-1-(1-pyrrolidinyl)-2-propen-1-one
C14H17NO2 (231.12592220000002)
2-[(2-hydroxy-3-methylbutanoyl)amino]-4-methylpentanoic acid
Dexfenfluramine
A - Alimentary tract and metabolism > A08 - Antiobesity preparations, excl. diet products > A08A - Antiobesity preparations, excl. diet products > A08AA - Centrally acting antiobesity products D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist
isocarboxazid
C12H13N3O2 (231.10077180000002)
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AF - Monoamine oxidase inhibitors, non-selective D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
methyl 2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoate [IIN-based on: CCMSLIB00000845070]
methyl 2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoate [IIN-based: Match]
2-[(2-hydroxy-3-methylbutanoyl)amino]-4-methylpentanoic acid_major
Asn-val
A dipeptide formed from L-asparagine and L-valine residues.
Gly-Arg
A dipeptide formed from glycine and L-arginine residues.
Val-asn
A dipeptide formed from L-valine and L-asparagine residues.
(2E,4E,6Z)-2,4,6-Decatrienoic acid dehydropiperidide
m-Methoxycinnamic acid pyrrolidide
C14H17NO2 (231.12592220000002)
2-methoxy-5-methyl-N-phenyl-1H-imidazole-4-carboxamide
C12H13N3O2 (231.10077180000002)
(4,5-DIHYDRO-THIAZOL-2-YL)-PHENETHYL-AMINE
C12H13N3O2 (231.10077180000002)
1-benzyl-3,3-dimethylpiperidine-2,4-dione
C14H17NO2 (231.12592220000002)
N-ETHOXYCARBONYLMETHYL-N’-CYANO-N-PHENYLFORMAMIDINE
C12H13N3O2 (231.10077180000002)
3-(8-azabicyclo[3.2.1]oct-3-yl)benzoic acid
C14H17NO2 (231.12592220000002)
5-Nitro-2-(piperidin-1-yl)benzonitrile
C12H13N3O2 (231.10077180000002)
(R)-N-Boc-Morpholine-3-carboxylic acid
C10H17NO5 (231.11066720000002)
N-BENZYL-5-HYDROXYCYCLOHEX-3-ENECARBOXAMIDE
C14H17NO2 (231.12592220000002)
methyl 1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate
C14H17NO2 (231.12592220000002)
1-phenyl-3-(piperidin-1-yl)propane-1,3-dione
C14H17NO2 (231.12592220000002)
ethyl 2-(1H-indol-2-yl)-2-methylpropanoate
C14H17NO2 (231.12592220000002)
(1R,2R)-(-)-2-BENZYLOXYCYCLOHEXYL ISOCYANATE
C14H17NO2 (231.12592220000002)
(4-Ethoxy-benzyl)-furan-2-ylmethyl-amine
C14H17NO2 (231.12592220000002)
ETHYL-5-AMINO-2-PHENYLIMIDAZOLE-4-CARBOXYLATE
C12H13N3O2 (231.10077180000002)
5-amino-4-carbethoxy-1-phenylpyrazole
C12H13N3O2 (231.10077180000002)
(R)-N-Boc-2,2-Dimethyl-4-hydroxymethyloxazolindine
4-(Mercaptomethyl)-1-piperidinecarboxylic acid tert-butyl ester
Ethyl 3-amino-1-phenyl-1H-pyrazole-4-carboxylate
C12H13N3O2 (231.10077180000002)
(3S,4S)-TERT-BUTYL 3-HYDROXY-4-(HYDROXYMETHYL)PIPERIDINE-1-CARBOXYLATE
Ethyl-5-amino-1-phenyl-1H-pyrazol-3-carboxylat
C12H13N3O2 (231.10077180000002)
(S)-2-ACETAMIDO-4-(TERT-BUTOXY)-4-OXOBUTANOIC ACID
C10H17NO5 (231.11066720000002)
(5-FLUORO-1H-INDAZOL-3-YL)-ACETICACID
C14H14FNO (231.10593659999998)
1H-Benzimidazole,5-methoxy-2-(4-piperidinyl)-(9CI)
3-Pyridazinamine, 6-(2-ethoxyphenoxy)-
C12H13N3O2 (231.10077180000002)
3-(Piperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-one
Methyl 2-amino-4-phenylpyrimidine-5-carboxylate
C12H13N3O2 (231.10077180000002)
TERT-BUTYL 6-METHYL-1H-INDOLE-1-CARBOXYLATE
C14H17NO2 (231.12592220000002)
(1s,2s)-2-benzyloxycyclohexyl isocyanate
C14H17NO2 (231.12592220000002)
3-((TERT-BUTOXYCARBONYL)AMINO)TETRAHYDROFURAN-3-CARBOXYLIC ACID
C10H17NO5 (231.11066720000002)
4-piperidin-4-yl-2-(trifluoromethyl)pyrimidine
C10H12F3N3 (231.09832679999997)
1-[3-(trifluoromethyl)pyrid-2-yl]piperazine
C10H12F3N3 (231.09832679999997)
benzyl N-cyclohex-2-en-1-ylcarbamate
C14H17NO2 (231.12592220000002)
2-[(1,3-dimethyl-1H-pyrazol-5-yl)amino]Benzoic acid
C12H13N3O2 (231.10077180000002)
1-[5-(Trifluoromethyl)pyridin-2-yl]piperazine
C10H12F3N3 (231.09832679999997)
(2S,3R)-1-(TERT-BUTOXYCARBONYL)-3-HYDROXYPYRROLIDINE-2-CARBOXYLIC ACID
C10H17NO5 (231.11066720000002)
tert-Butyl 4-(prop-2-yn-1-ylamino)benzoate
C14H17NO2 (231.12592220000002)
2-Methyl-2-Propanyl 4-Hydroxy-4-(Hydroxymethyl)-1-Piperidinecarboxylate
2-nitro-5-(1-piperidyl)benzonitrile
C12H13N3O2 (231.10077180000002)
6-AMINO-1-BENZYL-3-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE
C12H13N3O2 (231.10077180000002)
(R)-1-(5-(Trifluoromethyl)pyridin-2-yl)pyrrolidin-3-amine
C10H12F3N3 (231.09832679999997)
N-(2-butylbenzofuran-5-yl)acetamide
C14H17NO2 (231.12592220000002)
4-(3-Isopropyl-1,2,4-oxadiazol-5-yl)piperidine hydrochloride
C10H18ClN3O (231.11383279999998)
2-INDANYLBORONIC ACID DIETHANOLAMINE ESTER
C13H18BNO2 (231.14305180000002)
4-METHYL-BETA-STYRYLBORONIC ACID DIETHANOLAMINE ESTER
C13H18BNO2 (231.14305180000002)
7-Benzyl-2-oxa-7-azaspiro[4.4]nonan-1-one
C14H17NO2 (231.12592220000002)
3,4-Dimethoxy-N-methylphenethylamine hydrochloride
trans-4-(5-propyl-1,3-dioxan-2-yl)benzonitrile
C14H17NO2 (231.12592220000002)
2-Fluoro-N-methyl-6-phenoxybenzylamine hydrochloride,
C14H14FNO (231.10593659999998)
4-[di(methyl)amino]-1,5-dimethyl-2-phenylpyrazol-3-one
(2S,3S)-1-(TERT-BUTOXYCARBONYL)-3-HYDROXYPYRROLIDINE-2-CARBOXYLIC ACID
C10H17NO5 (231.11066720000002)
N-tert-Butoxycarbonyl-trans-4-hydroxy-D-proline
C10H17NO5 (231.11066720000002)
1-(4-Trifluoromethyl-pyridin-2-yl)-piperazine
C10H12F3N3 (231.09832679999997)
2-Methyl-2-propanyl (3S,4S)-3,4-bis(hydroxymethyl)-1-pyrrolidinec arboxylate
2-Pyridinethiol,1,4-dihydro-4,4,6-trimethyl-1-phenyl-
7,7-DIETHYL-5-METHOXY-1A,2,7,7A-TETRAHYDRO-1H-1-AZA-CYCLOPROPA[B]NAPHTHALENE
1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOLE-4-CARBALDEHYDE OXIME
C12H13N3O2 (231.10077180000002)
2-(1-piperidylmethyl)cyclohexan-1-one hydrochloride
C12H22ClNO (231.13898319999998)
2-BENZYLHEXAHYDROPYRANO[3,4-C]PYRROL-4(2H)-ONE
C14H17NO2 (231.12592220000002)
7-Benzyl-1-oxa-7-azaspiro[4.4]nonan-2-one
C14H17NO2 (231.12592220000002)
tert-Butyl 2-(hydroxymethyl)-1,4-oxazepane-4-carboxylate
7-Morpholin-4-yl-3H-quinazolin-4-one
C12H13N3O2 (231.10077180000002)
methyl 3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
1-azabicyclo[2.2.2]octan-3-yl benzoate
C14H17NO2 (231.12592220000002)
2-(Piperidin-4-yl)-5-(pyrazin-2-yl)-1,3,4-oxadiazole
C11H13N5O (231.11200480000002)
tert-butyl 2,4-bis(hydroxymethyl)pyrrolidine-1-carboxylate
1-[2-(4-FLUOROPHENOXY)PHENYL]-N-METHYLMETHYLAMINE
C14H14FNO (231.10593659999998)
1-Hydroxy-3-amino-5,7-dimethyladamantane hydrochloride
C12H22ClNO (231.13898319999998)
TERT-BUTYL 2-ISOCYANO-3-PHENYLPROPIONATE
C14H17NO2 (231.12592220000002)
7-ISOPROPYL-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER
C14H17NO2 (231.12592220000002)
5-ISOPROPYL-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER
C14H17NO2 (231.12592220000002)
[1,1-biphenyl]-2-ol, compound with 2-aminoethanol (1:1)
C14H17NO2 (231.12592220000002)
Methyl 1-Benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate
C14H17NO2 (231.12592220000002)
(2S,4R)-tert-butyl 2,4-bis(hydroxyMethyl)pyrrolidine-1-carboxylate
1-[1-(4-Methoxy-benzyl)-1H-[1,2,3]triazol-4-yl]-ethanone
C12H13N3O2 (231.10077180000002)
METHYL (3S)-(+)-3-(1-METHYLINDOL-3-YL)&
C14H17NO2 (231.12592220000002)
(3-ACETYL-PHENYL)-PHOSPHONICACIDDIETHYLESTER
C12H13N3O2 (231.10077180000002)
2-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)pyrazine
C11H13N5O (231.11200480000002)
Methyl (2R)-4-(1H-indol-3-yl)-2-methylbutanoate
C14H17NO2 (231.12592220000002)
Ala-Ala-Ala
A tripeptide composed of three L-alanine units joined by peptide linkages.
trans-2-(4-Cyanophenyl)-5-n-propyl-1,3-dioxane
C14H17NO2 (231.12592220000002)
benzyl 1-Methyl-1H-imidazol-2-ylcarbamate
C12H13N3O2 (231.10077180000002)
7-benzyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one
C14H17NO2 (231.12592220000002)
9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-one
C14H17NO2 (231.12592220000002)
2-cyanopyrimidine-5-boronic acid pinacol ester
C11H14BN3O2 (231.11790140000002)
Ethanol,2,2-(2-naphthalenylimino)bis-
C14H17NO2 (231.12592220000002)
N-(2-Fluorobenzyl)-3-Methoxyaniline
C14H14FNO (231.10593659999998)
1-[(3-amino-4-quinolinyl)amino]-2-methyl-2-propanol
Leucine, 4-fluoro-N-(1-oxo-4-pentenyl)-
C11H18FNO3 (231.12706500000002)
3-[1-(4-Amino-butyl)-1H-[1,2,3]triazol-4-yl]-phenylamine
Glycine, N-[(1,1-diMethylethoxy)carbonyl]-N-(2-oxoethyl)-Methyl ester
C10H17NO5 (231.11066720000002)
1-N-BOC-(2R,4S)-4-HYDROXY-2-(HYDROXYMETHYL) PIPERIDINE
tert-butyl 3-fluoro-4-oxoazepane-1-carboxylate
C11H18FNO3 (231.12706500000002)
5-[4-(dimethylamino)phenyl]cyclohexane-1,3-dione
C14H17NO2 (231.12592220000002)
2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Benzyl 4-methylene-1-piperidinecarboxylate
C14H17NO2 (231.12592220000002)
TERT-BUTYL 7-METHYL-1H-INDOLE-1-CARBOXYLATE
C14H17NO2 (231.12592220000002)
(3R,4S)-(-)-1-BENZYL-3,4-PYRROLIDINDIOL
C10H17NO5 (231.11066720000002)
2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)acetonitrile
C14H17NO2 (231.12592220000002)
morpholine-3,4-dicarboxylic acid 4-tert-butyl ester
C10H17NO5 (231.11066720000002)
1-(TERT-BUTOXYCARBONYL)-5-METHYLINDOLE&
C14H17NO2 (231.12592220000002)
(2-ethoxy-benzyl)-furan-2-ylmethyl-amine
C14H17NO2 (231.12592220000002)
alpha-[1-[(2-Hydroxyethyl)Amino]Ethyl]Benzyl Alcohol Hydrochloride
3-(4,6-Dimethoxypyrimidin-2-yl)aniline
C12H13N3O2 (231.10077180000002)
4-(4,6-Dimethoxypyrimidin-2-yl)aniline
C12H13N3O2 (231.10077180000002)
4-Boc-3(S)-morpholinecarboxylic acid
C10H17NO5 (231.11066720000002)
(S)-2-(((TERT-BUTOXYCARBONYL)AMINO)METHYL)-3-METHYLBUTANOIC ACID
(R)-2-(((TERT-BUTOXYCARBONYL)AMINO)METHYL)-3-METHYLBUTANOIC ACID
1-[6-(Trifluoromethyl)pyridin-2-yl]piperazine
C10H12F3N3 (231.09832679999997)
SPIRO[CYCLOHEXANE-1,3-INDOLINE]-5-CARBOXYLIC ACID
C14H17NO2 (231.12592220000002)
Farampator
C12H13N3O2 (231.10077180000002)
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Farampator (CX-691;Org24448) is an AMPA receptor positive modulator.
N(2)-succinyl-L-ornithinate(1-)
A dicarboxylic acid monoanion that is the conjugate base of N(2)-succinyl-L-ornithine.
N-Cyano-N-(1,1-dimethylpropyl)-N-(3-pyridinyl)guanidine
D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoic acid
levofenfluramine
C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist
2-Benzyl-6-hydroxy-2-azabicyclo[2.2.2]octan-3-one
C14H17NO2 (231.12592220000002)
6-Anilino-1,3-dimethylpyrimidine-2,4-dione
C12H13N3O2 (231.10077180000002)
Glycine, N-(3-methyl-1-oxobutyl)-, trimethylsilyl ester
2,3,5-Trimethyl-1-(trimethylsilyl)-1H-indole
C14H21NSi (231.14431860000002)
(2s)-2-(1h-Indol-3-Yl)hexanoic Acid
C14H17NO2 (231.12592220000002)
Indeloxazine
C14H17NO2 (231.12592220000002)
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants Same as: D08077
4-(L-gamma-glutamylamino)Butanoate
Conjugate base of 4-(L-gamma-glutamylamino)butanoic acid.
(7R,8S)-8-amino-7-(carboxyamino)nonanoate
C10H19N2O4- (231.13447539999999)
4-(5,5-Dimethylcyclohex-1-en-1-yl)cyclohexa-1,3-diene-1-carboxylic acid
2-Amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylic acid methyl ester
C12H13N3O2 (231.10077180000002)
2-[[2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid
3,12-Dihydroxylaurate
An omega-hydroxy fatty acid anion that is the conjugate base of 3,12-dihydroxylauric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
4,4-dimethyl-N2-(2-methylphenyl)-1H-1,3,5-triazine-2,6-diamine
1-Spiro[2,4-dihydroisoquinoline-3,1-cyclohexane]thione
2-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)ethanimidamide
C11H13N5O (231.11200480000002)
(2R)-1-(3-mercapto-2,2-dimethyl-1-oxopropyl)-2-pyrrolidinecarboxylic acid
3-(2-Furanyl)-1-(4-methoxyphenyl)-1-propanamine
C14H17NO2 (231.12592220000002)
Methyl 2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoate
N-(2-aminoethyl)ethane-1,2-diamine;2-(chloromethyl)oxirane;hydrochloride
3-[4-(3-Aminopropylamino)butylamino]-3-oxopropanoic acid
3-[3-(4-Aminobutylamino)propylamino]-3-oxopropanoic acid
(2S)-2-amino-5-(5-aminopentylamino)-5-oxopentanoic acid
N-(3-Phenylpropionyl)piperidin-2-one
C14H17NO2 (231.12592220000002)
Methyl 5-ethyl-2-phenyl-1-pyrroline-4-carboxylate (4,5-cis)
C14H17NO2 (231.12592220000002)
N-(3,3-Dideutero-3-phenylpropionyl)piperidin-2-one
C14H17NO2 (231.12592220000002)
N-(2,2-Dideutero-3-phenylpropionyl)piperidin-2-one
C14H17NO2 (231.12592220000002)
N-(2,2,3,3-Tetradeutero-3-phenylpropionyl)piperidin-2-one
C14H17NO2 (231.12592220000002)
3-Methyl-6-nitro-1,2,3,4-tetrahydro-gamma-carboline
C12H13N3O2 (231.10077180000002)
3-Methyl-8-nitro-1,2,3,4-tetrahydro-gamma-carboline
C12H13N3O2 (231.10077180000002)
1-(3-Phenylbutanoyl)pyrrolidin-2-one
C14H17NO2 (231.12592220000002)
Methyl 2,3-dimethyl-5-phenyl-1-pyrroline-4-carboxylate (3,4-trans-4,5-cis)
C14H17NO2 (231.12592220000002)
Methyl 2,ref.-4-dimethyl-trans-5-phenyl-1-pyrroline-4-carboxylate
C14H17NO2 (231.12592220000002)
N-1(S)-Phenylethyl-2(R),3(S)-dimethyl-4-pentenamide
TRIAZIQUONE
C12H13N3O2 (231.10077180000002)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AC - Ethylene imines C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
O-Butanoylcarnitine
A C4-acylcarnitine that is the O-butanoyl derivative of carnitine.
(-)-Metazocine
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
Butyrylcarnitine
Butyrylcarnitine is a metabolite in plasma, acts as a biomarker to improve the diagnosis and prognosis of heart failure, and is indicative of anomalous lipid and energy metabolism.
L-Proline, 1-(2-methyl-3-(methylthio)-1-oxopropyl)-, (S)-
O-butanoyl-L-carnitine
An optically active form of O-butanoylcarnitine having L-configuration.
O-Isobutyryl-L-carnitine
An optically active form of O-isobutyrylcarnitine having (R)-configuration.
AGN 192836
C12H13N3O2 (231.10077180000002)
AGN 192836 is a potent and selective α2 adrenergic agonist with EC50s of 8.7, 41 and 6.6 nM for α2A, α2B and α2C receptor, respectively.
α7 Nicotinic receptor agonist-1
α7 Nicotinic receptor agonist-1 (Preparation 5) is an α7 nAChR agonist. α7 Nicotinic receptor agonist-1 can be used in studies of psychiatric disorders (such as schizophrenia, manic or hypomanic depression and anxiety disorders) and intellectual disorders (such as alzheimer's disease, learning deficits, cognitive deficits, attention deficits, memory loss, lewy body dementia and attention deficit hyperactivity disorder)[1].
(2e,4e,6e)-1-(3,4-dihydro-2h-pyridin-1-yl)deca-2,4,6-trien-1-one
2-imino-5-[(4-methoxyphenyl)methylidene]-3-methylimidazolidin-4-one
C12H13N3O2 (231.10077180000002)
(2e)-3-(4-methoxyphenyl)-1-(pyrrolidin-1-yl)prop-2-en-1-one
C14H17NO2 (231.12592220000002)
(2e)-1-[(2r)-2-methoxypyrrolidin-1-yl]-3-phenylprop-2-en-1-one
C14H17NO2 (231.12592220000002)
(2z)-n-(2-methylpropyl)undec-2-en-8,10-diynimidic acid
1-[(4s)-4-hydroxy-3,4-dihydro-2h-pyridin-1-yl]-3-phenylpropan-1-one
C14H17NO2 (231.12592220000002)
3-{8-azabicyclo[3.2.1]octan-3-yl}benzoic acid
C14H17NO2 (231.12592220000002)
1-(2-methoxypyrrolidin-1-yl)-3-phenylprop-2-en-1-one
C14H17NO2 (231.12592220000002)
1-[(5s,8r)-2,5-dimethyl-5h,6h,7h,8h,9h-cyclohepta[b]pyridin-8-yl]propan-1-one
n-[(2e)-3-(2-imino-1,3-dihydroimidazol-4-yl)prop-2-en-1-yl]-1h-pyrrole-2-carboxamide
C11H13N5O (231.11200480000002)
1-(4-hydroxy-3,4-dihydro-2h-pyridin-1-yl)-3-phenylpropan-1-one
C14H17NO2 (231.12592220000002)
(2e,4e,6z)-1-(3,4-dihydro-2h-pyridin-1-yl)deca-2,4,6-trien-1-one
(2e)-1-[(2s)-2-methoxypyrrolidin-1-yl]-3-phenylprop-2-en-1-one
C14H17NO2 (231.12592220000002)
2-methyl-2-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanenitrile
C10H17NO5 (231.11066720000002)
(1s,7r,9ar)-4-(furan-3-yl)-1,7-dimethyl-2,6,7,8,9,9a-hexahydro-1h-quinolizine
4-[(6s)-1,5,5-trimethyl-6h,7h-cyclopenta[c]pyridin-6-yl]butan-2-one
(2r,3e)-1-[(2r)-1-methylpyrrolidin-2-yl]-4-phenylbut-3-en-2-ol
3-(4-methoxyphenyl)-1-(pyrrolidin-1-yl)prop-2-en-1-one
C14H17NO2 (231.12592220000002)
3,8a-dimethyl-5-methylidene-4h,4ah,6h,7h,8h,9h,9ah-cyclohexa[f]indol-2-ol
(2e,4e,8z)-1-(3,4-dihydro-2h-pyridin-1-yl)deca-2,4,8-trien-1-one
2-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanenitrile
C10H17NO5 (231.11066720000002)
(2e)-n-methyl-n-(2-methylpropyl)dec-2-en-4,6-diynamide
methyl 4-(1h-indol-3-yl)-2-methylbutanoate
C14H17NO2 (231.12592220000002)
(2e)-n-(2-methylpropyl)undec-2-en-8,10-diynimidic acid
1-(3,4-dihydro-2h-pyridin-1-yl)deca-2,4,6-trien-1-one
(2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-1-hydroxypropylidene]amino}propanoic acid
4-(2h-1,3-benzodioxol-5-ylmethyl)-1-methyl-3h-imidazol-2-imine
C12H13N3O2 (231.10077180000002)
4-(furan-3-yl)-1,7-dimethyl-2,6,7,8,9,9a-hexahydro-1h-quinolizine
(3z)-n-(2-methylpropyl)undec-3-en-8,10-diynimidic acid
1-{2,5-dimethyl-5h,6h,7h,8h,9h-cyclohepta[b]pyridin-8-yl}propan-1-one
(2z)-3-(4-methoxyphenyl)-1-(pyrrolidin-1-yl)prop-2-en-1-one
C14H17NO2 (231.12592220000002)
(5z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-methylimidazolidin-4-one
C12H13N3O2 (231.10077180000002)
(4as,8ar,9as)-3,8a-dimethyl-5-methylidene-4h,4ah,6h,7h,8h,9h,9ah-cyclohexa[f]indol-2-ol
2-[(5r,8s)-2,5-dimethyl-5h,6h,7h,8h,9h-cyclohepta[b]pyridin-8-yl]prop-2-en-1-ol
4-[(6r)-1,5,5-trimethyl-6h,7h-cyclopenta[c]pyridin-6-yl]butan-2-one
1-[(4r)-4-hydroxy-3,4-dihydro-2h-pyridin-1-yl]-3-phenylpropan-1-one
C14H17NO2 (231.12592220000002)
(2e,4e)-1-(3,4-dihydro-2h-pyridin-1-yl)deca-2,4,6-trien-1-one
1-(3,4-dihydro-2h-pyridin-1-yl)deca-2,4,8-trien-1-one
2-(2-isopropylazirin-1-yl)-1-methyl-9h-purin-6-one
C11H13N5O (231.11200480000002)
1-[(5r,8r)-2,5-dimethyl-5h,6h,7h,8h,9h-cyclohepta[b]pyridin-8-yl]propan-1-one
(2e)-1-(2-methoxypyrrolidin-1-yl)-3-phenylprop-2-en-1-one
C14H17NO2 (231.12592220000002)