Exact Mass: 203.0882328
Exact Mass Matches: 203.0882328
Found 500 metabolites which its exact mass value is equals to given mass value 203.0882328,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Indolebutyrate
3-Indolebutyric acid is an indolic tryptophan metabolite occasionally found in human urine. (PMID:7130309). 3-Indolebutyric acid is a plasma and urinary tryptophan-related metabolite related to metabolic and skin diseases. (PMID:15206797). Plasma levels of tryptophan metabolites in the umbilical vein and artery are significantly higher than those in the maternal vein. (PMID:1506727). 3-Indolebutyric acid has been shown to accelerated glucose uptake in the rat diaphragm. (PMID:6025019). 3-Indolebutyric acid is also a microbial netabolite, urinary indole-3-butyrate is produced by Clostridia sp. (PMID:6630445). CONFIDENCE standard compound; INTERNAL_ID 927; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4086; ORIGINAL_PRECURSOR_SCAN_NO 4084 CONFIDENCE standard compound; INTERNAL_ID 927; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8560; ORIGINAL_PRECURSOR_SCAN_NO 8559 CONFIDENCE standard compound; INTERNAL_ID 927; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4046; ORIGINAL_PRECURSOR_SCAN_NO 4043 CONFIDENCE standard compound; INTERNAL_ID 927; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4063; ORIGINAL_PRECURSOR_SCAN_NO 4060 CONFIDENCE standard compound; INTERNAL_ID 927; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4038; ORIGINAL_PRECURSOR_SCAN_NO 4035 CONFIDENCE standard compound; INTERNAL_ID 927; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8533; ORIGINAL_PRECURSOR_SCAN_NO 8532 CONFIDENCE standard compound; INTERNAL_ID 927; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8524; ORIGINAL_PRECURSOR_SCAN_NO 8522 CONFIDENCE standard compound; INTERNAL_ID 927; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8573; ORIGINAL_PRECURSOR_SCAN_NO 8570 CONFIDENCE standard compound; INTERNAL_ID 927; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8581; ORIGINAL_PRECURSOR_SCAN_NO 8579 CONFIDENCE standard compound; INTERNAL_ID 927; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4035; ORIGINAL_PRECURSOR_SCAN_NO 4032 CONFIDENCE standard compound; INTERNAL_ID 927; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8600; ORIGINAL_PRECURSOR_SCAN_NO 8599 CONFIDENCE standard compound; INTERNAL_ID 927; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4061; ORIGINAL_PRECURSOR_SCAN_NO 4058 Indole-3-butyric acid (IBA) is a plant hormone in the auxin family and is an ingredient in many commercial plant rooting horticultural products. Indole-3-butyric acid is found in common pea, potato, and corn. KEIO_ID I025 Indole-3-butyric acid (3-indolebutyric acid; IBA) is a plant growth auxin and a good rooting agent. It can promote herbs and woody ornamental plant rooting and used for improving fruit rate.
Tryptophanamide
Tryptophanamide is a substrate for tryptophan aminopeptidase (EC: 3.5.1.57)and is converted to L-Tryptophan via enzymatic hydrolysis. [HMDB] Tryptophanamide is a substrate for tryptophan aminopeptidase (EC: 3.5.1.57)and is converted to L-Tryptophan via enzymatic hydrolysis. KEIO_ID T054; [MS3] KO009291 KEIO_ID T054; [MS2] KO009290 KEIO_ID T054
N-acetyl-L-2-aminoadipate(2-)
N-acetyl-L-2-aminoadipate(2-) is also known as N-Acetyl-L-2-aminoadipic acid. N-acetyl-L-2-aminoadipate(2-) is considered to be soluble (in water) and acidic
Methsuximide
C12H13NO2 (203.09462380000002)
Methsuximide is only found in individuals that have used or taken this drug. It is an anticonvulsant medication. It is sold by Pfizer under the name Petinutin. [Wikipedia]Binds to T-type voltage sensitive calcium channels. Voltage-sensitive calcium channels (VSCC) mediate the entry of calcium ions into excitable cells and are also involved in a variety of calcium-dependent processes, including muscle contraction, hormone or neurotransmitter release, gene expression, cell motility, cell division and cell death. The isoform alpha-1G gives rise to T-type calcium currents. T-type calcium channels belong to the "low-voltage activated (LVA)" group and are strongly blocked by mibefradil. A particularity of this type of channels is an opening at quite negative potentials and a voltage-dependent inactivation. T-type channels serve pacemaking functions in both central neurons and cardiac nodal cells and support calcium signaling in secretory cells and vascular smooth muscle. They may also be involved in the modulation of firing patterns of neurons which is important for information processing as well as in cell growth processes. N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AD - Succinimide derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Acetyl-L-carnitine
L-Acetylcarnitine (Acetylcarnitine or ALC or LAC) is an acetic acid ester of carnitine that facilitates the movement of acetyl-CoA into the matrices of mammalian mitochondria during the oxidation of fatty acids. Acetylcarnitine is an endogenous compound widely distributed in many tissues, including brain. Chemically, acetylcarnitine is the acetylated derivative of the amino acid L-carnitine whose function is generally correlated with regulation of energy metabolism within mitochondria. The synthesis of acetylcarnitine is catalyzed by the enzyme carnitine acetyltransferase (CAT), which is located on the inner mitochondrial membrane as well as in endoplasmic reticulum and peroxisome. CAT promotes the transfer of an acetyl group from acetyl-Coenzyme A (acetyl-CoA) to carnitine, thereby producing acetylcarnitine and free CoA (PMID: 29267192). After being synthetized, acetylcarnitine is transported outside mitochondria into the cytosol by the enzyme carnitine/acetylcarnitine translocase (CACT). This is a crucial metabolic reaction for beta-oxidation of fatty acids whereby acetylcarnitine facilitates the transport of acetyl-CoA across mitochondrial membranes (PMID: 29267192). In addition to his metabolic role, L-acetylcarnitine possesses unique neuroprotective, neuromodulatory, and neurotrophic properties. acetylcarnitine is mobile throughout the plasma membranes and can rapidly cross blood-brain barrier. Indeed, acetylcarnitine can be transported by the high-affinity sodium-dependent organic cation/transporter (OCTN2), which is functionally expressed in cells forming the blood-brain barrier (PMID: 29267192). A wide range of mechanisms have been proposed to explain the multiplicity of acetylcarnitine activities within nervous tissues. In particular, it has been demonstrated that acetylcarnitine modulates the activity of nerve growth factor (NGF) and enhances the expression of NGF receptors in striatum/hippocampus during development (PMID: 29267192). Moreover, acetylcarnitine modulates different neurotransmitter systems, including the GABAergic, dopaminergic, and cholinergic system by increasing acetyl-CoA content and choline acetyltransferase (ChAT) activity. This may play an important role in counteracting various neurodegenerative disease processes (PMID: 15363640).
1-Isothiocyanato-7-(methylthio)heptane
1-Isothiocyanato-7-(methylthio)heptane is found in brassicas. Flavour compound of Japanese horseradish (Wasabia japonica). Flavour compound of Japanese horseradish (Wasabia japonica). 1-Isothiocyanato-7-(methylthio)heptane is found in brassicas.
N-Lactoylleucine
N-Lactoylleucine is a lactoyl derivative of phenylalanine. N-Lactoyl-amino acids are ubiquitous pseudodipeptides of lactic acid and amino acids that are rapidly formed by reverse proteolysis. A protease, cytosolic nonspecific dipeptidase 2 (CNDP2), catalyzes their formation. The plasma levels of these metabolites strongly correlate with plasma levels of lactate and amino acid (PMID: 25964343).
Isosalsolidine
C12H13NO2 (203.09462380000002)
Isosalsolidine is found in herbs and spices. Isosalsolidine is a trace constituent in seeds of Nigella sativa (black cumin). Trace constituent in seeds of Nigella sativa (black cumin). Isosalsolidine is found in herbs and spices.
Glutaminylglycine
Glutaminylglycine is a dipeptide composed of phenylalanine 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.
Alanylasparagine
Alanylasparagine is a dipeptide composed of alanine and asparagine. 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.
Asparaginylalanine
Asparaginylalanine is a dipeptide composed of asparagine and alanine. 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.
Glycyl-Glutamine
Glycyl-Glutamine is a dipeptide composed of glycine 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.
Glycyl-Gamma-glutamate
Glycyl-Gamma-glutamate is a dipeptide composed of glycine 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.
5-(2-Furanyl)-1,2,3,4,5,6-hexahydro-7H-cyclopenta[b]pyridin-7-one
C12H13NO2 (203.09462380000002)
Proline-derived Maillard product. Proline-derived Maillard product
OR-1855
OR-1855 is a metabolite of levosimendan. Levosimendan is a calcium sensitiser used in the management of acutely decompensated congestive heart failure. It is marketed under the trade name Simdax. (Wikipedia)
N-Acetyl-S-allylcysteine
S-Allylmercapturic acid
Methyl indole-3-propanoate
C12H13NO2 (203.09462380000002)
Methyl indole-3-propanoate, also known as methyl indole-3-propionate, belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. Indolyl carboxylic acids and derivatives are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring. Methyl indole-3-propanoate is a catabolite of tryptophan converted by the gut microbiota. After absorption through the intestinal epithelium, tryptophan catabolites enter the bloodstream and are later excreted in the urine (PMID: 28916042).
1-Carboxyethylleucine
1-Carboxyethylleucine belongs to the class of organic compounds known as leucine and derivatives. Leucine and derivatives are compounds containing leucine or a derivative thereof resulting from a reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. 1-Carboxyethylleucine was identified as one of forty plasma metabolites that could be used to predict gut microbiome Shannon diversity (PMID: 31477923). Shannon diversity is a metric that summarizes both species abundance and evenness, and it has been suggested as a marker for microbiome health.
Acetyl-D-carnitine
Acetyl-D-carnitine is an acylcarnitine. More specifically, it is an acetic 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. Acetyl-D-carnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine Acetyl-D-carnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. In particular Acetyl-D-carnitine is elevated in the blood or plasma of individuals with very long chain acyl-CoA dehydrogenase deficiency (PMID: 9034211), colorectal cancer (PMID: 25105552), short-chain 3-hydroxyacyl-CoA dehydrogenase deficiency (PMID: 11489939), paclitaxel induced neuropathy (PMID: 29946863), type 2 diabetes Mellitus (PMID: 28726959; PMID: 25964024, PMID: 28726959, PMID: 19369366, PMID: 24358186), chronic heart failure (PMID: 22622056), ornithine transcarbamylase (PMID: 3346778), pre-diabetes (PMID: 23010998, PMID: 24358186), type 1 diabetes mellitus (PMID: 16789638), methylmalonic acidemia (PMID: 8214594), myeloma (PMID: 30096165), and diastolic heart failure (PMID: 26010610). It is also decreased in the blood or plasma of individuals with 3-methyl-crotonyl-glycinuria (PMID: 25732994), antiviral drug induced neuropathy (PMID: 9030365, PMID: 11364244), Alzheimer Disease (PMID: 27196316), major depressive disorder (PMID: 30061399), carnitine palmitoyltransferase 2 deficiency (PMID: 20543534), Familial Mediterranean Fever (PMID: 29900937), chronic fatigue syndrome (PMID: 9854142), methylmalonic acidemia (PMID: 15164354), hepatocellular carcinoma (PMID: 26976432, PMID: 31662827), and coronary artery disease (PMID: 20173117). Acetyl-D-carnitine is elevated in the urine of individuals with colorectal cancer (25105552), uterine fibroids (32590215), heart failure (8070147), diabetes mellitus (10221661), and hepatocellular carcinoma (24923488). It is also decreased in the urine of individuals with carnitine palmitoyltransferase 2 deficiency (20543534). Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, incre...
DL-Acetylcarnitine
DL-Acetylcarnitine is an acylcarnitine. More specifically, it is an acetic 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. DL-Acetylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine DL-Acetylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. In particular DL-Acetylcarnitine is elevated in the blood or plasma of individuals with very long chain acyl-CoA dehydrogenase deficiency (PMID: 9034211), colorectal cancer (PMID: 25105552), short-chain 3-hydroxyacyl-CoA dehydrogenase deficiency (PMID: 11489939), paclitaxel induced neuropathy (PMID: 29946863), type 2 diabetes Mellitus (PMID: 28726959; PMID: 25964024, PMID: 28726959, PMID: 19369366, PMID: 24358186), chronic heart failure (PMID: 22622056), ornithine transcarbamylase (PMID: 3346778), pre-diabetes (PMID: 23010998, PMID: 24358186), type 1 diabetes mellitus (PMID: 16789638), methylmalonic acidemia (PMID: 8214594), myeloma (PMID: 30096165), and diastolic heart failure (PMID: 26010610). It is also decreased in the blood or plasma of individuals with 3-methyl-crotonyl-glycinuria (PMID: 25732994), antiviral drug induced neuropathy (PMID: 9030365, PMID: 11364244), Alzheimer Disease (PMID: 27196316), major depressive disorder (PMID: 30061399), carnitine palmitoyltransferase 2 deficiency (PMID: 20543534), Familial Mediterranean Fever (PMID: 29900937), chronic fatigue syndrome (PMID: 9854142), methylmalonic acidemia (PMID: 15164354), hepatocellular carcinoma (PMID: 26976432, PMID: 31662827), and coronary artery disease (PMID: 20173117). DL-Acetylcarnitine is elevated in the urine of individuals with colorectal cancer (25105552), uterine fibroids (32590215), heart failure (8070147), diabetes mellitus (10221661), and hepatocellular carcinoma (24923488). It is also decreased in the urine of individuals with carnitine palmitoyltransferase 2 deficiency (20543534). Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, incre... An acetic acid ester of carnitine that facilitates movement of acetyl CoA into the matrices of mammalian mitochondria during the oxidation of fatty acids. In addition to his metabolic role, acetyl-L-carnitine (ALC) posses unique neuroprotective, neuromodulatory, and neurotrophic properties this may play an important role in counteracting various disease processes. (PubMed ID 15363640) [HMDB] N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics D002491 - Central Nervous System Agents > D018697 - Nootropic Agents D018977 - Micronutrients > D014815 - Vitamins
(S)-Norfenfluramine
C10H12F3N (203.09217879999997)
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D049990 - Membrane Transport Modulators
4-Aminoantipyrine
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
5-Carboxamidotryptamine
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists
Ciamexon
C308 - Immunotherapeutic Agent D007155 - Immunologic Factors
4-Aminoantipyrine
A pyrazolone, a member of the class of pyrazoles that is antipyrine substituted at C-4 by an amino group. It is a metabolite of aminopyrine and of metamizole. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 80 CONFIDENCE standard compound; INTERNAL_ID 8660 CONFIDENCE standard compound; EAWAG_UCHEM_ID 845
S-Allylmercapturic acid
N-acetyl-S-allylcysteine is a N-acyl-L-amino acid.
NORFENFLURAMINE
C10H12F3N (203.09217879999997)
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D049990 - Membrane Transport Modulators CONFIDENCE standard compound; EAWAG_UCHEM_ID 3468 CONFIDENCE standard compound; INTERNAL_ID 2115
1-isopropyl-5-methylindoline-2,3-dione
C12H13NO2 (203.09462380000002)
7-(Ethylamino)-4-methylcoumarin
C12H13NO2 (203.09462380000002)
CONFIDENCE standard compound; INTERNAL_ID 2493
3,4,7-trimethylisoquinoline-6,8-diol
C12H13NO2 (203.09462380000002)
Ethyl 3-indoleacetate
C12H13NO2 (203.09462380000002)
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids
oxedrine HCl
Synephrine (Oxedrine) hydrochloride, an alkaloid, is an α-adrenergic and β-adrenergic agonist derived from the Citrus aurantium. Synephrine hydrochloride is a sympathomimetic compound and can be used for weight loss[1][2]. Synephrine (Oxedrine) hydrochloride, an alkaloid, is an α-adrenergic and β-adrenergic agonist derived from the Citrus aurantium. Synephrine hydrochloride is a sympathomimetic compound and can be used for weight loss[1][2]. Synephrine (Oxedrine) hydrochloride, an alkaloid, is an α-adrenergic and β-adrenergic agonist derived from the Citrus aurantium. Synephrine hydrochloride is a sympathomimetic compound and can be used for weight loss[1][2].
Indolebutyrate
3-Indolebutyric acid is an indolic tryptophan metabolite occasionally found in human urine. (PMID:7130309). 3-Indolebutyric acid is a plasma and urinary tryptophan-related metabolite related to metabolic and skin diseases. (PMID:15206797). Plasma levels of tryptophan metabolites in the umbilical vein and artery are significantly higher than those in the maternal vein. (PMID:1506727). 3-Indolebutyric acid has been shown to accelerated glucose uptake in the rat diaphragm. (PMID:6025019). 3-Indolebutyric acid is also a microbial netabolite, urinary indole-3-butyrate is produced by Clostridia sp. (PMID:6630445). Indole-3-butyric acid is a indol-3-yl carboxylic acid that is butanoic acid carrying a 1H-indol-3-yl substituent at position 1. It has a role as a plant hormone, a plant metabolite and an auxin. It is functionally related to a butyric acid. It is a conjugate acid of an indole-3-butyrate. Indole-3-butyric acid is a natural product found in Cocos nucifera, Nymphaea alba, and other organisms with data available. Indole-3-butyric acid (IBA) is a plant hormone in the auxin family and is an ingredient in many commercial plant rooting horticultural products. Indole-3-butyric acid is found in common pea, potato, and corn. A indol-3-yl carboxylic acid that is butanoic acid carrying a 1H-indol-3-yl substituent at position 1. Indole-3-butyric acid (3-indolebutyric acid; IBA) is a plant growth auxin and a good rooting agent. It can promote herbs and woody ornamental plant rooting and used for improving fruit rate.
METHSUXIMIDE
C12H13NO2 (203.09462380000002)
N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AD - Succinimide derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants CONFIDENCE standard compound; EAWAG_UCHEM_ID 3285 EAWAG_UCHEM_ID 3285; CONFIDENCE standard compound
4-Aminoantipyrin
Annotation level-1 D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE standard compound; INTERNAL_ID 4083 D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
5-Methyl-1-(propan-2-yl)-1H-indole-2,3dione
C12H13NO2 (203.09462380000002)
CONFIDENCE standard compound; INTERNAL_ID 8024
FEN_204.0996_12.2
C10H12F3N (203.09217879999997)
CONFIDENCE Transformation product with Reference Standard (Level 1); INTERNAL_ID 601
3-indolebutyric acid
C12H13NO2 (203.09462380000002)
Indole-3-butyric acid (3-indolebutyric acid; IBA) is a plant growth auxin and a good rooting agent. It can promote herbs and woody ornamental plant rooting and used for improving fruit rate.
1-Isopropyl-5-methyl-1H-indole-2,3-dione
C12H13NO2 (203.09462380000002)
http://casmi-contest.org/challenges-cat1-2.shtml; CASMI2012 LC Challenge 15
4-methyl-7-ethylaminocoumarin
C12H13NO2 (203.09462380000002)
CONFIDENCE standard compound; INTERNAL_ID 65
N-Butylphthalimide
C12H13NO2 (203.09462380000002)
CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4038; ORIGINAL_PRECURSOR_SCAN_NO 4035 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4063; ORIGINAL_PRECURSOR_SCAN_NO 4060 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4035; ORIGINAL_PRECURSOR_SCAN_NO 4032 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4046; ORIGINAL_PRECURSOR_SCAN_NO 4043 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4061; ORIGINAL_PRECURSOR_SCAN_NO 4058 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4071; ORIGINAL_PRECURSOR_SCAN_NO 4069 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8524; ORIGINAL_PRECURSOR_SCAN_NO 8522 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8533; ORIGINAL_PRECURSOR_SCAN_NO 8532 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8560; ORIGINAL_PRECURSOR_SCAN_NO 8559 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8573; ORIGINAL_PRECURSOR_SCAN_NO 8570 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8600; ORIGINAL_PRECURSOR_SCAN_NO 8599 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8581; ORIGINAL_PRECURSOR_SCAN_NO 8579
7-(Dimethylamino)-4-methylcoumarin
C12H13NO2 (203.09462380000002)
CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4038; ORIGINAL_PRECURSOR_SCAN_NO 4035 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4063; ORIGINAL_PRECURSOR_SCAN_NO 4060 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4035; ORIGINAL_PRECURSOR_SCAN_NO 4032 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4046; ORIGINAL_PRECURSOR_SCAN_NO 4043 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4061; ORIGINAL_PRECURSOR_SCAN_NO 4058 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4071; ORIGINAL_PRECURSOR_SCAN_NO 4069 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8504; ORIGINAL_PRECURSOR_SCAN_NO 8502 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8459; ORIGINAL_PRECURSOR_SCAN_NO 8458 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8553; ORIGINAL_PRECURSOR_SCAN_NO 8549 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8551; ORIGINAL_PRECURSOR_SCAN_NO 8548 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8517; ORIGINAL_PRECURSOR_SCAN_NO 8512 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8398; ORIGINAL_PRECURSOR_SCAN_NO 8396
Ala-asn
A dipeptide composed of L-alanine and L-asparagine units joined by a peptide linkage.
GLN-Gly
A dipeptide formed from L-glutamine and glycine residues.
Gly-GLN
A dipeptide formed from glycine and L-glutamine residues.
5-(2-Furanyl)-1,2,3,4,5,6-hexahydro-7H-1-pyrindin-7-one
C12H13NO2 (203.09462380000002)
3-Methoxytyramine hydrochloride
3-Methoxytyramine hydrochloride is an inactive metabolite of dopamine which can activate trace amine associated receptor 1 (TAAR1).
Ethyl 2-methyl-1H-indole-3-carboxylate
C12H13NO2 (203.09462380000002)
N-(8-oxo-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
C12H13NO2 (203.09462380000002)
N-[3-(Trifluoromethyl)benzyl]ethylamine
C10H12F3N (203.09217879999997)
1H-Imidazole-5-carboxylicacid,4-amino-1-phenyl-(9CI)
5(4H)-Oxazolone,4-(1-methylethyl)-2-phenyl-
C12H13NO2 (203.09462380000002)
Phenylephrine hydrochloride
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics D019141 - Respiratory System Agents > D014663 - Nasal Decongestants D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents (R)-(-)-Phenylephrine hydrochloride is a selective α1-adrenoceptor agonist with pKis of 5.86, 4.87 and 4.70 for α1D, α1B and α1A receptors respectively.
[2-(3,4-DIMETHYL-PHENYL)-OXAZOL-4-YL]-METHANOL
C12H13NO2 (203.09462380000002)
2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
3-(1H-indol-3-yl)-2-methylpropanoic acid
C12H13NO2 (203.09462380000002)
(3R,7AS)-3-PHENYLTETRAHYDROPYRROLO[1,2-C]OXAZOL-5(3H)-ONE
C12H13NO2 (203.09462380000002)
3-[4-(Trifluoromethyl)phenyl]-1-propanamine
C10H12F3N (203.09217879999997)
1H-Indole-3-carboxylic acid, 6-Methyl-, ethyl ester
C12H13NO2 (203.09462380000002)
2-TRIFLUOROMETHYL-5,6,7,8-TETRAHYDROPYRIDO[4,3-D]PYRIMIDINE
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-amine,hydrochloride
Benzyl 2,3-dihydro-1H-pyrrole-1-carboxylate
C12H13NO2 (203.09462380000002)
7-METHOXY-1,2,3,4-TETRAHYDRO-BENZOFURO[2,3-C]PYRIDINE
C12H13NO2 (203.09462380000002)
3,4,7-trimethyl-1h-indole-2-carboxylic acid
C12H13NO2 (203.09462380000002)
3-(1-methylindol-3-yl)propanoic acid
C12H13NO2 (203.09462380000002)
1-Propanone,3-(dimethylamino)-1-(2-furanyl)-, hydrochloride (1:1)
1H-Isoindole-1,3(2H)-dione,2-(1,1-dimethylethyl)-
C12H13NO2 (203.09462380000002)
(R)-N-BOC-5-AMINO-3-HYDROXY-PENTANOICACIDETHYLESTER
C10H12F3N (203.09217879999997)
2-METHYL-1,3,7-TRIAZASPIRO[4.5]DEC-1-EN-4-ONE HYDROCHLORIDE
(1R)-1-(3-Fluoro-4-methylphenyl)-1-propanamine hydrochloride (1:1 )
(1R)-1-(4-Fluorophenyl)-1-butanamine hydrochloride (1:1)
2-(2,5-dimethylindol-1-yl)acetic acid
C12H13NO2 (203.09462380000002)
1H-Imidazole-4-carboxylicacid,1-(phenylamino)-(9CI)
2-(1-Aminoethyl)-4-hydroxybenzyl alcohol hydrochloride
1-(6-methylpyridin-2-yl)imidazole-4-carboxylic acid
5-METHYL-2-PYRIDIN-3-YL-3H-IMIDAZOLE-4-CARBOXYLIC ACID
[2-(3-ETHYL-PHENYL)-OXAZOL-4-YL]-METHANOL
C12H13NO2 (203.09462380000002)
3,5,7-trimethyl-1h-indole-2-carboxylic acid
C12H13NO2 (203.09462380000002)
n-methyldopamine hydrochloride
N-Methyldopamine hydrochloride is a precursor of adrenaline in the adrenal medulla. N-Methyldopamine hydrochloride is a modification of the dopamine (DA), and retains agonist activity at the DA1 receptor. N-Methyldopamine hydrochloride remains capable of universal surface coating and secondary reactions using the surface catechols. N-Methyldopamine hydrochloride can be used for heart failure research[1][2][3].
1,3,7-trimethyl-1H-indole-2-carboxylic acid
C12H13NO2 (203.09462380000002)
1H-Indole-3-aceticacid, 2,5-dimethyl-
C12H13NO2 (203.09462380000002)
4-[(1S,2R)-2-amino-1-hydroxypropyl]phenol,hydrochloride
7-(propan-2-yl)-1H-indole-2-carboxylic acid
C12H13NO2 (203.09462380000002)
3-Mercapto-pyrrolidine-1-carboxylic acid tert-butyl ester
C9H17NO2S (203.09799420000002)
(R)-1-(4-Fluoro-2-Methylphenyl)propan-1-amine hydrochloride
(1S)-1-(3-fluoro-4-methylphenyl)propan-1-amine,hydrochloride
(1S)-1-(4-fluoro-3-methylphenyl)propan-1-amine,hydrochloride
N,N-DIMETHYL-2,5-DIMETHYLIMIDAZOLE-1-SULFONAMIDE
C7H13N3O2S (203.07284380000002)
benzyl 3-methylideneazetidine-1-carboxylate
C12H13NO2 (203.09462380000002)
1-AZABICYCLO[2.2.2]OCT-2-ENE-3-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE
(R)-1-(3-TRIFLUOROMETHYLPHENYL)-2-AMINOPROPANE
C10H12F3N (203.09217879999997)
4-[(3,5-DIMETHYL-4-ISOXAZOLYL)METHYL]BENZENOL
C12H13NO2 (203.09462380000002)
5-Methyl-1-phenyl-1H-[1,2,3]triazole-4-carboxylic acid
5-Methyl-1-phenyl-1H-[1,2,4]triazole-3-carboxylic acid
2,3,5,6-Tetrahydrospiro[indoline-3,4-pyran]-2-one
C12H13NO2 (203.09462380000002)
4-ethyl-3,4-dihydro-2H-2-benzazepine-1,5-dione
C12H13NO2 (203.09462380000002)
N-Methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
(S)-2-(1-Chloro-2-Methyl-2-propanyl)-4-isopropyl-4,5-dihydrooxazole
4-methyl-2-phenyl-1,2,3-triazole-5-carboxylic acid
N-METHYL-N-[3-(5-METHYL-1,2,4-OXADIAZOL-3-YL)BENZYL]AMINE
(5-methyl-3-phenyl-1,2-oxazol-4-yl)boronic acid
C10H10BNO3 (203.07537000000002)
2,3,3-trimethyl-3H-indole-5-carboxylic acid
C12H13NO2 (203.09462380000002)
4-Hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid
C12H13NO2 (203.09462380000002)
N-METHYL-[4-(3-METHYL-1,2,4-OXADIAZOL-5-YL)PHENYL]METHYLAMINE
(R)-(4-BENZYL-MORPHOLIN-3-YL)-ACETICACIDMETHYLESTER
C12H13NO2 (203.09462380000002)
Piperidine, 4-(5-methyl-1,2,4-oxadiazol-3-yl)-, hydrochloride (1:1)
Methyl 2,3-dimethyl-1H-indole-5-carboxylate
C12H13NO2 (203.09462380000002)
1-propyl-1H-indole-3-carboxylic acid
C12H13NO2 (203.09462380000002)
(1R)-1-(3-fluoro-2-methylphenyl)propan-1-amine,hydrochloride
3-(3-Methyl-1H-indol-1-yl)propanoic acid
C12H13NO2 (203.09462380000002)
N-(5-Oxo-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
C12H13NO2 (203.09462380000002)
N-(Phosphonomethyl)glycine diammonium salt
C3H14N3O5P (203.06710439999998)
Benzyl 2,5-dihydro-1H-pyrrole-1-carboxylate
C12H13NO2 (203.09462380000002)
2-(5-ethyl-1H-indol-3-yl)acetic acid
C12H13NO2 (203.09462380000002)
(2S,4E)-5-Chloro-N,N-dimethyl-2-(1-methylethyl)-4-pentenamide
1,3-DIHYDRO-4-(2-HYDROXYPHENYL)-2H-1,5-BENZODIAZEPIN-2-ONE
C12H13NO2 (203.09462380000002)
6-ISOPROPYLINDOLE-3-CARBOXALDEHYDE
C12H13NO2 (203.09462380000002)
(1S)-1-(3-fluoro-2-methylphenyl)propan-1-amine,hydrochloride
5-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde
C11H13NOSi (203.07663680000002)
1-(Pyridin-4-ylmethyl)-1H-pyrazol-4-ylboronic acid
C9H10BN3O2 (203.08660300000003)
1,2-Benzenediol,4-[2-(1H-pyrrol-1-yl)ethyl]- (9CI)
C12H13NO2 (203.09462380000002)
3,5-DIMETHYL-4-METHOXYBENZOYLACETONITRILE
C12H13NO2 (203.09462380000002)
1H-Indole-2-carboxylicacid, 1-methyl-, ethyl ester
C12H13NO2 (203.09462380000002)
Ethyl 3-methyl-1H-indole-2-carboxylate
C12H13NO2 (203.09462380000002)
n-methyl[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methylamine
(3R-CIS)-(-)-3-PHENYLTETRAHYDROPYRROLO-[2,1-B]-OXAZOL-5(6H)-ONE
C12H13NO2 (203.09462380000002)
(5S)-5,6-DIHYDRO-6,6-DIMETHYL-5-PHENYL-2H-1,4-OXAZIN-2-ONE
C12H13NO2 (203.09462380000002)
3-(2-methylindol-1-yl)propanoic acid
C12H13NO2 (203.09462380000002)
1H-1,2,3-Triazole,5-ethoxy-4-methyl-1-phenyl-(7CI)
ethyl 3,4-dihydroisoquinoline-1-carboxylate
C12H13NO2 (203.09462380000002)
SPIRO[PIPERIDINE-4,3-PYRROLO[2,3-B]PYRIDIN]-2(1H)-ONE
1H-Indole-7-carboxylic acid, 4-Methyl-, ethyl ester
C12H13NO2 (203.09462380000002)
1-(3,4-dimethoxyphenyl)cyclopropane-1-carbonitrile
C12H13NO2 (203.09462380000002)
ethyl 3-methyl-1H-indole-5-carboxylate
C12H13NO2 (203.09462380000002)
4-(3-HYDROXY-3-METHYLBUT-1-YNYL)BENZALDEHYDE OXIME
C12H13NO2 (203.09462380000002)
3H-SPIRO[ISOBENZOFURAN-1,3-PIPERIDIN]-3-ONE
C12H13NO2 (203.09462380000002)
4-(1-Pyrrolidinylcarbonyl)benzaldehyde
C12H13NO2 (203.09462380000002)
1H-Isoindole-1,3(2H)-dione,2-(1-methylpropyl)-
C12H13NO2 (203.09462380000002)
3-Ethyl-5-methyl-1H-indole-2-carboxylic acid
C12H13NO2 (203.09462380000002)
(2E)-3-(5-Amino-1H-pyrrolo[2,3-b]pyridin-3-yl)acrylic acid
2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
2-METHYL-5-PHENYL-2H-[1,2,4]TRIAZOLE-3-CARBOXYLIC ACID
2-amino-5-isopropylbenzotrifluoride
C10H12F3N (203.09217879999997)
2-(1H-Indol-3-yl)-2-methylpropanoic acid
C12H13NO2 (203.09462380000002)
([3-(4-methoxyphenyl)-1h-pyrazol-4-yl]methyl)amine
N-Ethyl-4-(trifluoromethyl)benzylamine
C10H12F3N (203.09217879999997)
N-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanamine
benzyl N-[(1E)-buta-1,3-dienyl]carbamate
C12H13NO2 (203.09462380000002)
2-[3-(Trifluoromethyl)phenyl]-2-propanamine
C10H12F3N (203.09217879999997)
Quinoline, 5,6-dimethoxy-2-methyl- (9CI)
C12H13NO2 (203.09462380000002)
OR-1855
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents
ETHYL2-(2-(DIETHYLAMINO)ETHYL)-3-OXOBUTANOATE
C12H13NO2 (203.09462380000002)
2-{[(FURAN-2-YLMETHYL)-AMINO]-METHYL}-PHENOL
C12H13NO2 (203.09462380000002)
1H-Indene-2-carboxylicacid,3-amino-,ethylester(9CI)
C12H13NO2 (203.09462380000002)
N-METHYL-N-[4-(5-METHYL-1,2,4-OXADIAZOL-3-YL)BENZYL]AMINE
[3-(4-ETHYL-PHENYL)-ISOXAZOL-5-YL]-METHANOL
C12H13NO2 (203.09462380000002)
(R)-(+)-2-(TERT-BUTOXYCARBONYLAMINO)-3-PHENYLPROPANAL
C12H13NO2 (203.09462380000002)
(S)-N-BOC-AZETIDINE-2-CARBOXYLICACIDMETHYLESTER
C10H12F3N (203.09217879999997)
trans-4-Trifluoromethyl-cyclohexylamine hydrochloride
6-(2-Oxopropyl)-3,4-dihydroquinolin-2(1h)-one
C12H13NO2 (203.09462380000002)
N-(furan-2-ylmethyl)-4-methoxyaniline
C12H13NO2 (203.09462380000002)
Carbamic acid, N-3-cyclopenten-1-yl-, phenyl ester
C12H13NO2 (203.09462380000002)
2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethan-1-ol
C12H13NO2 (203.09462380000002)
1-(4-methylphenyl)-1-(2-thienyl)methanamine(SALTDATA: HCl)
N-(4-oxo-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
C12H13NO2 (203.09462380000002)
methyl 2-(2-methyl-1H-indol-3-yl)acetate
C12H13NO2 (203.09462380000002)
6-(4-Aminophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one
1-Ethyl-4-hydroxy-6-methylquinolin-2(1H)-one
C12H13NO2 (203.09462380000002)
(1-(PYRIDIN-3-YLMETHYL)-1H-PYRAZOL-4-YL)BORONIC ACID
C9H10BN3O2 (203.08660300000003)
(S)-1-(4-(TRIFLUOROMETHYL)PHENYL)PROPAN-1-AMINE
C10H12F3N (203.09217879999997)
2-(Carbamoyloxymethyl)-1-methyl-d3-5-nitro-imidazole
2-oxa-5-azabicyclo[2.2.1]heptan-5-yl(phenyl)methanone
C12H13NO2 (203.09462380000002)
5-Isopropyl-1H-indole-2-carboxylic acid
C12H13NO2 (203.09462380000002)
(R)-1-(4-Fluorophenyl)-2-methylpropan-1-amine hydrochloride
(S)-1-(4-Fluorophenyl)-2-methylpropan-1-amine hydrochloride
1-(4-Acetylphenyl)pyrrolidin-2-one
C12H13NO2 (203.09462380000002)
Ethyl 5-methyl-1H-indole-2-carboxylate
C12H13NO2 (203.09462380000002)
Methyl 2-ethyl-1H-indole-6-carboxylate
C12H13NO2 (203.09462380000002)
2-Isopropyl-7-indolizinecarboxylic acid
C12H13NO2 (203.09462380000002)
Sumanirole
C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist
methyl 3-(2-cyanopropan-2-yl)benzoate
C12H13NO2 (203.09462380000002)
2H-Pyrrole-2-carboxylicacid,3,4-dihydro-5-methyl-3-phenyl-(9CI)
C12H13NO2 (203.09462380000002)
5-METHYL-1-(PYRIDIN-2-YL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
1-Phenyl-1H-[1,2,3]triazole-4-carboxylic acid methyl ester
3-methoxy-2-methyl-5-(1-methylpyrazol-4-yl)pyridine
Fluorofenidone
Fluorofenidone (AKF-PD), an analogue of AMR69, shows equivalent antifibrotic activity, lower toxicity and longer half-life. Fluorofenidone (AKF-PD) attenuates the progression of renal interstitial fibrosis partly by suppressing NADPH oxidase and extracellular matrix (ECM) deposition via the PI3K/Akt signalling pathway[1][2].
3-Ethyl-4-hydroxy-1-methylquinolin-2(1H)-one
C12H13NO2 (203.09462380000002)
N-[(Z)-2-benzoyl-1-methylvinyl]acetamide
C12H13NO2 (203.09462380000002)
N,N,1,2-tetramethyl-1H-imidazole-4-sulfonamide
C7H13N3O2S (203.07284380000002)
N-(2-Benzoyl-1-methylvinyl)acetamide
C12H13NO2 (203.09462380000002)
1-(2-Phenylacetyl)pyrrolidin-2-one
C12H13NO2 (203.09462380000002)
Glycine, N-(1-oxopropyl)-, trimethylsilyl ester
C8H17NO3Si (203.09776519999997)
4-Cyanobenzoic acid, 2-methylpropyl ester
C12H13NO2 (203.09462380000002)
(S)-Norfenfluramine
C10H12F3N (203.09217879999997)
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D049990 - Membrane Transport Modulators
2-Acetamidoglucal
A glycal derivative that is 1,5-anhydro-2-deoxy-D-arabino-hex-1-enitol substituted by an acetylamino group at position 2.
Tryptophanate
An alpha-amino-acid anion that is the conjugate base of tryptophan, arising from deprotonation of the carboxy group.
Neo-synephrine
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics D019141 - Respiratory System Agents > D014663 - Nasal Decongestants D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents
N-(ethoxycarbonyl)-4-hydroxyproline
A 4-hydroxyproline substituted at N-1 by an ethoxycarbonyl group.
N-(methoxyacetyl)-4-hydroxyproline
A 4-hydroxyproline substituted at N-1 by an methoxyacetyl group.
(2S)-2-azaniumyl-5-[(carboxylatomethyl)amino]-5-oxopentanoate
C7H11N2O5- (203.06679359999998)
3-Benzylamino-2-methyl-2-buten-4-olide
C12H13NO2 (203.09462380000002)
3-Methylphenylamino-2-methyl-2-buten-4-olide
C12H13NO2 (203.09462380000002)
4,5-Dihydro-1-phenyl-1H-pyrrole-4-carboxylic acid methyl ester
C12H13NO2 (203.09462380000002)
N2-Acetyl-L-aminoadipate
An N-acetyl-L-amino acid consisting of L-2-aminoadipic acid carrying an N-acetyl substituent.
Ala-Asp(1-)
C7H11N2O5 (203.06679359999998)
A peptide anion obtained by protonation of the amino group and deprotonation of the two carboxy groups of Ala-Asp.
6,7-dimethoxy-1-methylisoquinoline
C12H13NO2 (203.09462380000002)
5-carboxamidotryptamine
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists
5-(2-Furanyl)-1,2,3,4,5,6-hexahydro-7H-cyclopenta[b]pyridin-7-one
C12H13NO2 (203.09462380000002)
Gly-Gly-Ala
A tripeptide composed of glycine, glycine and L-alanine residues joined in sequence.
gamma-Glu-Gly(1-)
C7H11N2O5 (203.06679359999998)
A peptide anion that is the conjugate base of gamma-Glu-Gly, obtained by removal of protons from the two carboxy groups as well as protonation of the amino group; major species at pH 7.3.
D-Ala-Gly-Gly
A tripeptide composed of one D-alanine and two glycine residues joined in sequence.
Gly-Glu(1-)
C7H11N2O5 (203.06679359999998)
A peptide anion that is the conjugate base of Gly-Glu, obtained by deprotonation of the terminal and side-chain carboxy groups and protonation of the terminal amino group.
Gly-Gln zwitterion
A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Gly-Gln.
(4r,5r,6r)-3-amino-4,5,6-trihydroxy-2-methoxy-5-methylcyclohex-2-en-1-one
(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-(c-hydroxycarbonimidoyl)propanoic acid
1-{[3-(c-hydroxycarbonimidoyl)propyl]carbamoyl}-n-methoxymethanimine oxide
3-hydroxy-4-(1h-indol-3-yl)butan-2-one
C12H13NO2 (203.09462380000002)
(1r)-1-(6-methoxyquinolin-4-yl)ethanol
C12H13NO2 (203.09462380000002)
1-(1-ethylindol-3-yl)-2-hydroxyethanone
C12H13NO2 (203.09462380000002)