Exact Mass: 237.0550218
Exact Mass Matches: 237.0550218
Found 500 metabolites which its exact mass value is equals to given mass value 237.0550218,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
d-Threo biopterin
6-Biopterin (L-Biopterin), a pterin derivative, is a NO synthase cofactor.
Sepiapterin
Sepiapterin, also known as 2-amino-6-lactoyl-7,8-dihydropteridin-4(3H)-one, belongs to the class of organic compounds known as pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one. Sepiapterin is also classified as a member of the pteridine class of organic chemicals. It is a yellow fluorescing pigment. Sepiapterin is an intermediate in the salvage pathway of tetrahydrobiopterin (BH(4)). More specifically, sepiapterin can be metabolized into tetrahydrobiopterin via the BH(4) salvage pathway. Tetrahydrobiopterin is an essential cofactor in humans for breakdown of phenylalanine and a catalyst of the metabolism of phenylalanine, tyrosine, and tryptophan to the neurotransmitters dopamine and serotonin. A deficiency of tetrahydrobiopterin can cause toxic buildup of phenylalanine (phenylketonuria) as well as deficiencies of dopamine, norepinephrine, and epinephrine, leading to dystonia and other neurological illnesses. Sepiapterin accumulates in the brain of patients with sepiapterin reductase (SR) deficiency, an inborn error of metabolism. Sepiapterin reductase deficiency is a condition characterized by movement problems, most often a pattern of involuntary, sustained muscle contractions known as dystonia. Other movement problems can include muscle stiffness (spasticity), tremors, problems with coordination and balance (ataxia), and involuntary jerking movements (chorea). People with sepiapterin reductase deficiency can experience episodes called oculogyric crises. These episodes involve abnormal rotation of the eyeballs; extreme irritability and agitation; and pain, muscle spasms, and uncontrolled movements, especially of the head and neck. Movement abnormalities are often worse late in the day. Most affected individuals have delayed development of motor skills such as sitting and crawling, and they typically are not able to walk unassisted. The problems with movement tend to worsen over time. Within humans, sepiapterin participates in a number of enzymatic reactions. In particular, sepiapterin can be converted into 7,8-dihydroneopterin; which is mediated by the enzyme sepiapterin reductase. In addition, sepiapterin can be converted into 7,8-dihydroneopterin through its interaction with the enzyme carbonyl reductase [NADPH] 1. Sepiapterin is an intermediate in the salvage pathway of tetrahydrobiopterin (BH(4)). It is a yellow fluorescing pigment. Sepiapterin accumulates in the brain of patients with sepiapterin reductase (SR) deficiency. [HMDB] C307 - Biological Agent
Ketamine
C13H16ClNO (237.09203559999997)
Ketamine is only found in individuals that have used or taken this drug. It is a cyclohexanone derivative used for induction of anesthesia. Its mechanism of action is not well understood, but ketamine can block NMDA receptors (receptors, N-methyl-D-aspartate) and may interact with sigma receptors. [PubChem]Ketamine has several clinically useful properties, including analgesia and less cardiorespiratory depressant effects than other anaesthetic agents, it also causes some stimulation of the cardiocascular system. Ketamine has been reported to produce general as well as local anaesthesia. It interacts with N-methyl-D-aspartate (NMDA) receptors, opioid receptors, monoaminergic receptors, muscarinic receptors and voltage sensitive Ca ion channels. Unlike other general anaesthetic agents, ketamine does not interact with GABA receptors. D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE standard compound; EAWAG_UCHEM_ID 2826 KEIO_ID K005; [MS2] KO009114 KEIO_ID K005 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Dicrotophos
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor CONFIDENCE standard compound; INTERNAL_ID 1367; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6175; ORIGINAL_PRECURSOR_SCAN_NO 6173 CONFIDENCE standard compound; INTERNAL_ID 1367; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6206; ORIGINAL_PRECURSOR_SCAN_NO 6204 CONFIDENCE standard compound; INTERNAL_ID 1367; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6204; ORIGINAL_PRECURSOR_SCAN_NO 6202 CONFIDENCE standard compound; INTERNAL_ID 1367; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6194; ORIGINAL_PRECURSOR_SCAN_NO 6193 CONFIDENCE standard compound; INTERNAL_ID 1367; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6206; ORIGINAL_PRECURSOR_SCAN_NO 6205 CONFIDENCE standard compound; INTERNAL_ID 1367; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6200; ORIGINAL_PRECURSOR_SCAN_NO 6197
Dyspropterin
Dyspropterin, an intermediate formed from dihydroneopterin triphosphate in the biosynthetic pathway of tetrahydrobiopterin. [HMDB] Dyspropterin, an intermediate formed from dihydroneopterin triphosphate in the biosynthetic pathway of tetrahydrobiopterin.
1-Amino-2-methylanthraquinone
CONFIDENCE standard compound; INTERNAL_ID 773; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9635; ORIGINAL_PRECURSOR_SCAN_NO 9633 CONFIDENCE standard compound; INTERNAL_ID 773; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9606; ORIGINAL_PRECURSOR_SCAN_NO 9605 CONFIDENCE standard compound; INTERNAL_ID 773; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9611; ORIGINAL_PRECURSOR_SCAN_NO 9608 CONFIDENCE standard compound; INTERNAL_ID 773; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9622; ORIGINAL_PRECURSOR_SCAN_NO 9620 CONFIDENCE standard compound; INTERNAL_ID 773; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9607; ORIGINAL_PRECURSOR_SCAN_NO 9605 CONFIDENCE standard compound; INTERNAL_ID 773; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9597; ORIGINAL_PRECURSOR_SCAN_NO 9594
Pyrido[3,4-c]psoralen
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
Biopterin
Biopterin concentrations in cerebrospinal fluid from patients with Parkinsons disease, in which the nigrostriatal dopamine neurons degenerate, are lower than those from age-matched older controls. In hereditary progressive dystonia/DOPA-responsive dystonia, which is a dopamine deficiency caused by mutations in GTP cyclohydrolase I without neuronal cell death (Segawas disease), biopterin in cerebrospinal fluid decrease in parallel owing to the decreased activity in GTP cyclohydrolase I (EC 3.5.4.16, is an enzyme that is part of the folate and biopterin biosynthesis pathways. It is responsible for the hydrolysis of guanosine triphosphate (GTP) to form 7,8-dihydroneopterin 3-triphosphate. (Pteridines (1999), 10(1), 5-13.) Lowered levels of urinary biopterin concomitant with elevated serum phenylalanine concentration occur in a variant type of hyperphenylalaninemia caused by a deficiency of tetrahydrobiopterin (BH4), the obligatory cofactor for phenylalanine hydroxylase. The most frequent form of this cofactor deficiency is due to lack of 6-pyruvoyl-tetrahydropterin synthase (PTPS) activity, the second enzyme in the biosynthetic pathway for BH4. (PMID 8178819) The hepatic phenylalanine hydroxylating system consists of 3 essential components, phenylalanine hydroxylase, dihydropteridine reductase, and the nonprotein coenzyme, tetrahydrobiopterin. The reductase and the pterin coenzyme are also essential components of the tyrosine and tryptophan hydroxylating systems. There are 3 distinct forms of phenylketonuria or hyperphenylalaninemia, each caused by lack of 1 of these essential components. The variant forms of the disease that are caused by the lack of dihydropteridine reductase or tetrahydrobiopterin are characterized by severe neurol. deterioration, impaired functioning of tyrosine and tryptophan hydroxylases, and the resultant deficiency of tyrosine- and tryptophan-derived monoamine neurotransmitters in brain. (PMID 3930837) [HMDB] Biopterin, also known as tetrahydrobiopterin or BH4, belongs to the class of organic compounds known as biopterins and derivatives. These are coenzymes containing a 2-amino-pteridine-4-one derivative. Biopterin or tetrahydrobiopterin is also classified as a pterin derivative that consists of pterin group bearing an amino, an oxo and a 1,2-dihydroxypropyl substituent at positions 2, 4 and 6, respectively. Biopterin compounds found within the animals include BH4 (tetrahydrobiopterin), the free radical BH3, and BH2 (also a free radical, called Dihydrobiopterin). BH2 is produced in the synthesis of L-DOPA, dopamine, norepinephrine and epinephrine. It is restored to the required cofactor tetrahydrobiopterin by the enzyme dihydrobiopterin reductase. Tetrahydrobiopterin (BH4) is a cofactor of the three aromatic amino acid hydroxylase enzymes, used in the degradation of amino acid phenylalanine and in the biosynthesis of the neurotransmitters serotonin (5-hydroxytryptamine, 5-HT), melatonin, dopamine, norepinephrine (noradrenaline), epinephrine (adrenaline). It is also a cofactor for the production of nitric oxide (NO) by the nitric oxide syntheses. Tetrahydrobiopterin is biosynthesized from guanosine triphosphate (GTP) by three chemical reactions mediated by the enzymes GTP cyclohydrolase I (GTPCH), 6-pyruvoyltetrahydropterin synthase (PTPS), and sepiapterin reductase (SR). Biopterin synthesis disorders are a cause of hyperphenylalaninemia. There are 3 distinct forms of phenylketonuria or hyperphenylalaninemia, each caused by lack of aromatic amino acid hydroxylase enzymes. The variant forms of hyperphenylalaninemia that are caused by the lack of dihydropteridine reductase or tetrahydrobiopterin are characterized by severe neurological deterioration, impaired functioning of tyrosine and tryptophan hydroxylases, and the resultant deficiency of tyrosine- and tryptophan-derived monoamine neurotransmitters in brain. (PMID 3930837). 6-Biopterin (L-Biopterin), a pterin derivative, is a NO synthase cofactor.
3-Hydroxy-carbofuran
3-Hydroxy-carbofuran is a metabolite of Carbofuran in plants, insects and mammals. Metabolite of Carbofuran in plants, insects and mammals.
2-Amino-5-benzoylbenzimidazole
C14H11N3O (237.09020759999999)
2-Amino-5-benzoylbenzimidazole is a metabolite of mebendazole. Mebendazole or MBZ is a benzimidazole drug developed by Janssen Pharmaceutica and marketed as Vermox, Ovex, Antiox, and Pripsen. It is used to treat infestations by worms including pinworms, roundworms, tapeworms, hookworms, and whipworms. (Wikipedia)
Primapterin
Primapterin and anapterin are present in very low concentrations in every human urine, as well as in the liver of man. - PMID: 3382399 [HMDB] Primapterin and anapterin are present in very low concentrations in every human urine, as well as in the liver of man. - PMID: 3382399.
N-Benzoylaspartic acid
N-Benzoylaspartic acid is found in pulses. N-Benzoylaspartic acid is a constituent of pea (Pisum sativum) Constituent of pea (Pisum sativum). N-Benzoylaspartic acid is found in pulses and common pea.
Deoxyeritadenine
Deoxyeritadenine is found in mushrooms. Deoxyeritadenine is a constituent of the edible shitake mushroom
S-Cysteinosuccinic acid
S-Cysteinosuccinic acid is found in pulses. S-Cysteinosuccinic acid is isolated from seeds of Vigna radiata (mung bean
Methyl 2,3-dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid
Methyl 2,3-dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid is found in cereals and cereal products. Methyl 2,3-dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid is a constituent of rice bran. Constituent of rice bran. Methyl 2,3-dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid is found in cereals and cereal products.
N-Lactoylphenylalanine
N-Lactoylphenylalanine 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). N-Lactoyl-Phenylalanine is a blood-borne signalling metabolite and can be used for obesity research. N-Lactoyl-Phenylalanine is exercise-inducible[1].
D-Biopterin
D-Biopterin is a pterin which is a chemical compound composed of a pyrazine ring and a pyrimidine ring. The level of biopterin decreases in the urine of patients with guanosine triphosphate cyclohydrolase I. (PMID 10770663) [HMDB] D-Biopterin is a pterin which is a chemical compound composed of a pyrazine ring and a pyrimidine ring. The level of biopterin decreases in the urine of patients with guanosine triphosphate cyclohydrolase I. (PMID 10770663). 6-Biopterin (L-Biopterin), a pterin derivative, is a NO synthase cofactor.
Orinapterin
Orinapterin is a threo diastereomer of biopterin, was first isolated from human urine. Its structure was shown to be 2-amino-4(3H)-oxo-6-[(1S,2S)-1,2-dihydroxypropyl]pteridine. A non-enzymatic transformation of 7,8-dihydroneopterin and 7,8-dihydrobiopterin by a mechanism analogous to keto-enol tautomerism is postulated for the formation of umanopterin and orinapterin in human body. [HMDB] Orinapterin is a threo diastereomer of biopterin, was first isolated from human urine. Its structure was shown to be 2-amino-4(3H)-oxo-6-[(1S,2S)-1,2-dihydroxypropyl]pteridine. A non-enzymatic transformation of 7,8-dihydroneopterin and 7,8-dihydrobiopterin by a mechanism analogous to keto-enol tautomerism is postulated for the formation of umanopterin and orinapterin in human body.
Salsoline-1-carboxylate
Salsoline-1-carboxylic acid is a intermidiate metabolite in the synthesis of Salsoline and it can be directly oxidized by certain enzyme. It can also be synthesized through another intermediate metabolite Salsolinol 1-carboxylate via Catechol O-methyltransferase. Salsoline-1-carboxylic acid is a intermidiate metabolite in the synthesis of Salsoline and it can be directly oxidized by certain enzyme
8-[(Aminomethyl)sulfanyl]-6-sulfanyloctanoic acid
8-[(aminomethyl)sulfanyl]-6-sulfanyloctanoic acid is a intermediate of the glycine cleavage system. It can be found covalently attached to the H-protein of the glycine cleavage system. [HMDB] 8-[(aminomethyl)sulfanyl]-6-sulfanyloctanoic acid is a intermediate of the glycine cleavage system. It can be found covalently attached to the H-protein of the glycine cleavage system.
N-(1-Deoxy-1-fructosyl)glycine
Fructose aminoacids are naturally occurring compounds derived from D-fructose and L-aminoacids. They are amadori products resulting from sugar-aminoacid interactions in food products, especially cooked foods [CCD] N-(1-Deoxy-1-fructosyl)glycine is classified as a Natural Food Constituent (code WA) in the DFC.
Fructoseglycine
Fructoseglycine, a fructose molecule containing a glycine group in place of a hydroxyl group.
1-Carboxyethylphenylalanine
1-Carboxyethylphenylalanine belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from a reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. 1-Carboxyethylphenylalanine 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.
6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
3-(Dimethylamino)-1-methyl-3-oxoprop-1-enyl dimethyl phosphate
(E)-(4-Amino-5-ethoxy-2-methyl-5-oxopent-2-en-1-yl)phosphonic acid
Mergepta
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors
2-Amino-6-(2-hydroxypropanoyl)-2,3-dihydro-1H-pteridin-4-one
1,3-Benzodioxole-5-carboxylic acid, 6-(2-(dimethylamino)ethyl)-
4-Methylaeruginoic acid
A 1,3-thiazole that is 4,5-dihydro-1,3-thiazole-4-carboxylic acid substituted by a 2-hydroxyphenyl group at position 2 and a methyl group at position 4 (the 4S stereoisomer). It is isolated from the culture broth of Streptomyces sp.KCTC9303 and exhibits potent cytotoxic activites against number of tumour cell lines.
1,3,4-Thiadiazol-2-amine, 5-[[(4-methylphenyl)methyl]thio]-
methyl 4-acetamido-2-ethoxybenzoate
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent CONFIDENCE standard compound; INTERNAL_ID 1184 CONFIDENCE standard compound; INTERNAL_ID 1084
Viridicatin
A hydroxyquinolone that is 3-hydroxyuinolin-2(1H)-one which is substituted at position 4 by a phenyl groups. Isolated from the mycelium of several Penicillium species, it exhibits strong antibiotic activity against M. tuberculosis and also against B. subtilis, S. aureus and S. cerevisiae. CONFIDENCE isolated standard
alpha-(4-Hydroxy-3-methoxyphenyl)-2-thiazolemethanol
(1S*,3S*)-1-methyl-3-carboxy-6-hydroxy-8-methoxy-1,2,3,4-tetrahydroisoquinoline
4-acetyl-3-(3-methylbutanoyl)pyridine-2,6(1h,3h)-dione
ketamine
C13H16ClNO (237.09203559999997)
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 1586
biopterin
A pterin derivative that consists of pterin bearing amino, oxo and 1,2-dihydroxypropyl substituents at positions 2, 4 and 6 respectively. The parent of the class of biopterins; the L-erythro isomer occurs widely in nature. 6-Biopterin (L-Biopterin), a pterin derivative, is a NO synthase cofactor.
N-succinoylanthranilic acid
Origin: Plant, Organic chemicals, Polycyclic compounds, Anthracenes
Mebendazole-amine
C14H11N3O (237.09020759999999)
Orinapterin
A biopterin that consists of pterin bearing amino, oxo and 1,2-dihydroxypropyl substituents at positions 2, 4 and 6.
Primapterin
A member of the class of biopterins that consists of pterin bearing amino, oxo and 1,2-dihydroxypropyl substituents at positions 2, 4 and 7 respectively.
Methyl 2,3-dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid
2-(3-CHLOROPHENYL)-5-METHYL-2H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID
5-CHLORO-3H-SPIRO[ISOBENZOFURAN-1,4-PIPERIDIN]-3-ONE
(2-Amino-5-chlorophenyl)-cyclohexylmethanone
C13H16ClNO (237.09203559999997)
3-(4-CHLOROPHENYL)-5-METHYLISOXAZOLE-4-CARBOXYLIC ACID
4-oxo-4-[n-(pyridine-4-carbonyl)-hydrazino]-butyric acid
1-(2-CHLOROPHENYL)-5-METHYL-1H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID
5-CHLORO-4-HYDROXY-8-METHYLQUINOLINE-3-CARBOXYLIC ACID
4-ALLYL-5-(THIEN-2-YLMETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
Benzenamine,2-(5-phenyl-1,3,4-oxadiazol-2-yl)-
C14H11N3O (237.09020759999999)
[1-(2-fluoro-4-nitrophenyl)imidazol-4-yl]methanol
C10H8FN3O3 (237.05496699999998)
2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
C11H8FNO2S (237.02597599999999)
4-ALLYL-5-(5-METHYLTHIEN-3-YL)-4H-1,2,4-TRIAZOLE-3-THIOL
5-amino-1-(4-chlorophenyl)pyrazole-4-carboxylic acid
2,7-DIMETHYLQUINOLINE-4-CARBOXYLIC ACID
C11H12ClN3O (237.06688519999997)
Ambazone
R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations > R02AA - Antiseptics C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent C274 - Antineoplastic Agent
4-(CYCLOPENTYLAMINO)-2-(METHYLTHIO)PYRIMIDINE-5-CARBALDEHYDE
C11H15N3OS (237.09357799999998)
4-(1-METHYL-1H-IMIDAZOL-5-YL)PIPERIDINE DIHYDROCHLORIDE
5-[(2-PHENYLETHYL)AMINO]-1,3,4-THIADIAZOLE-2-THIOL
5-(4-METHOXYPHENYL)-2-OXOOXAZOLIDINE-4-CARBOXYLIC ACID
4-methoxyquinoline-2-carboximidamide,hydrochloride
C11H12ClN3O (237.06688519999997)
1-methoxyisoquinoline-3-carboximidamide,hydrochloride
C11H12ClN3O (237.06688519999997)
1-{[2-(2,4-DIFLUOROPHENYL)OXIRAN-2-YL]METHYL}-1H-1,2,4-TRIAZOLE
C11H9F2N3O (237.07136479999997)
Methyl 8-chloro-4-oxo-1,4-dihydroquinoline-7-carboxylate
SPIRO[INDENE-1,4-PIPERIDIN]-3(2H)-ONE HYDROCHLORIDE
C13H16ClNO (237.09203559999997)
2,6-DIMETHYLMORPHOLINOFORMAMIDINE HYDROBROMIDE
C7H16BrN3O (237.04766659999999)
(6-NITRO-2-OXO-1,3-BENZOXAZOL-3(2H)-YL)ACETIC ACID
2-CYANO-3-(1-NAPHTHALENYL)-2-PROPENOIC ACID METHYL ESTER
7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride
ETHYL5-AMINO-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE
METHYL 2-(2-FLUOROPHENYL)THIAZOLE-4-CARBOXYLATE
C11H8FNO2S (237.02597599999999)
METHYL 2-(4-FLUOROPHENYL)THIAZOLE-4-CARBOXYLATE
C11H8FNO2S (237.02597599999999)
methyl 1-chloro-4-hydroxyisoquinoline-3-carboxylate
2-Chloro-N-[4-(trifluoromethyl)phenyl]acetamide
C9H7ClF3NO (237.01682379999997)
5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylic acid
C11H8FNO2S (237.02597599999999)
5-(chloromethyl)-4-methyl-2-(4-methylphenyl)-1,3-thiazole
C12H12ClNS (237.03789419999998)
BOC-1-AMINOCYCLOPROPANE-1-CARBOXYLICACID
C13H13ClFN (237.07205000000002)
5-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride
2-chloro-N-[2-(trifluoromethyl)phenyl]acetamide
C9H7ClF3NO (237.01682379999997)
2-[4-(trifluoromethyl)phenyl]aniline,hydrochloride
4-[3-(Methylsulfonyl)phenyl]-1,2,3,6-tetrahydropyridine
5-methyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole,hydrochloride
1-(2-fluorobenzyl)-5-oxopyrrolidine-3-carboxylic acid(SALTDATA: FREE)
1-(4-CHLOROPHENYL)-5-METHYL-1H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID
CIS-PIPERIDINE-2,6-DICARBOXYLIC ACID DIMETHYL ESTER HCL
3-(3-OXO-2,3-DIHYDRO-4H-1,4-BENZOTHIAZIN-4-YL)PROPANOIC ACID
5-(4-METHOXYPHENYL)-1,3-OXAZOLE-4-CARBONYLCHLORIDE
4-CHLOROMETHYL-2-(4-METHOXY-PHENYL)-5-METHYL-OXAZOLE
CGP 39551
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
2,2,2-TRIFLUORO-N-(4-METHOXY-PHENYL)-ACETIMIDOYL CHLORIDE
C9H7ClF3NO (237.01682379999997)
2-(4-aminophenyl)-1H-quinazolin-4-one
C14H11N3O (237.09020759999999)
N-(2-chloro-6-cyanopyridin-3-yl)pivalamide
C11H12ClN3O (237.06688519999997)
6-chloro-3H-spiro[isobenzofuran-1,4-piperidin]-3-one
Benzo[b]thiophene-2-carboxylic acid, 5-nitro-, hydrazide (9CI)
1-[CHLORO(PHENYL)ACETYL]PIPERIDINE
C13H16ClNO (237.09203559999997)
6-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride
3-(2-CHLORO-ETHYL)-2-METHYL-1H-INDOLE-5-CARBOXYLIC ACID
2-CYANO-3-(4-METHYL-THIAZOL-2-YLAMINO)-ACRYLIC ACID ETHYL ESTER
3-METHOXY-6-NITRO-TRIFLUOROMETHYL-PHENOL
C8H6F3NO4 (237.02489119999998)
2-(7-Methoxy-1-naphthyl)ethylamine hydrochloride
C13H16ClNO (237.09203559999997)
1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]ethanone
C9H7ClF3NO (237.01682379999997)
5-Thiazolecarboxylicacid,2-(4-fluorophenyl)-4-methyl-
C11H8FNO2S (237.02597599999999)
5-((4-METHOXYPHENOXY)METHYL)-1,3,4-THIADIAZOL-2-AMINE
Methyl 6-nitro-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylate
2-(Methylthio)-5-(trifluoromethyl)pyridin-3-ylboronic acid
1-PHENYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBONITRILE
2-[Chloro(4-chlorophenyl)methyl]pyridine
C12H9Cl2N (237.01120139999998)
1-(2-CHLORO-4-FLUOROPHENYL)ETHAN-1-OL
C13H13ClFN (237.07205000000002)
METHYL 7-CHLORO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLATE
(4-FLUORO-PHENYL)-(4-OXO-PIPERIDIN-1-YL)-ACETICACID
2-[HYDROXY-(4-NITRO-PHENYL)-METHYL]-ACRYLIC ACID METHYL ESTER
1-[(2-Chlorophenyl)(MethyliMino)Methyl]cyclopentanol
C13H16ClNO (237.09203559999997)
4-[(Pyridin-4-yl)Methyl]-2H-phthalazin-1-one
C14H11N3O (237.09020759999999)
Poly(acrylamide-co-acrylic acid) partial sodium salt
C9H12NNaO5 (237.06131419999997)
3-(2-bromoethyl)-2-methyl-1H-indole
C11H12BrN (237.01530519999997)
3-Fluoro-4-(pyrrolidine-1-carbonyl)phenylboronic acid
C11H13BFNO3 (237.09724700000004)
5-(2-fluoro-phenyl)-2-Methyl-thiazole-4-carboxylic acid
C11H8FNO2S (237.02597599999999)
4-PHENYL-1-PIPERIDINEACETYL CHLORIDE
C13H16ClNO (237.09203559999997)
6-Bromo-2,3-dihydro-1H-spiro[cyclopropane-1,4-isoquinoline
C11H12BrN (237.01530519999997)
(2r,6s)-2,6-piperidinedicarboxylic acid dimethyl ester hydrochloride
2-Phenyl-1-(2-thioxo-3-thiazolidinyl)ethanone
C11H11NOS2 (237.02820359999998)
1-(3-CHLOROPHENYL)-5-METHYL-1H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID
BENZONITRILE, 4-[5-(TRIFLUOROMETHYL)-1H-IMIDAZOL-2-YL]-
N-(IMIDAZO[1,2-A]PYRIDIN-3-YL)BENZAMIDE
C14H11N3O (237.09020759999999)
2,5-DIOXOPYRROLIDIN-1-YL 4-FLUOROBENZOATE
C11H8FNO4 (237.04373399999997)
5-AMINO-1-(3-CHLORO-PHENYL)-1 H-PYRAZOLE-4-CARBOXYLIC ACID
2-Amino-Benzothiazole-6-carboxylic acid (2-hydroxy-Ethyl)-Amide
2-AMINO-5-OXO-5H-CHROMENO[2,3-B]PYRIDINE-3-CARBONITRILE
N-Chloroacetyl-3-(trifluoromethyl)aniline
C9H7ClF3NO (237.01682379999997)
(S)-1-(4-Fluorobenzoyl)pyrrolidine-2-carboxylic acid
2-(4-Chloro-3-methylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione
2,2-difluoro-2-quinolin-6-ylacetohydrazide
C11H9F2N3O (237.07136479999997)
3,4-DIHYDRO-2-HYDROXY-3-OXO-2H-1,4-BENZOXAZINE-7-CARBOXYLIC ACID, ETHYL ESTER
3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxylic acid
5-Trifluoromethyl-1,2,3,4-tetrahydroquinoline hydrochloride
6-CHLORO-1-(TETRAHYDRO-2H-PYRAN-2-YL)-1H-PYRAZOLO[4,3-C]PYRIDINE
C11H12ClN3O (237.06688519999997)
(4-fluorophenyl)-phenylmethanamine,hydrochloride
C13H13ClFN (237.07205000000002)
c-(4-fluoro-biphenyl-4-yl)-methylamine hydrochloride
C13H13ClFN (237.07205000000002)
(4-Fluoro-3-(pyrrolidine-1-carbonyl)phenyl)boronic acid
C11H13BFNO3 (237.09724700000004)
2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZIN-2-YL)-ETHANOHYDRAZIDE
7-(chloroacetyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Methyl 7-chloro-4-oxo-1,4-dihydro-3-quinolinecarboxylate
5-METHOXY-3-(4-NITROPHENYL)-1,3,4-OXADIAZOL-2(3H)-ONE
1-(3-(Trifluoromethyl)phenyl)cyclopropanamine hydrochloride
Potassium {[(tert-butoxycarbonyl)amino]methyl}trifluoroborate
SPIRO[INDENE-2,4-PIPERIDIN]-1(3H)-ONE HYDROCHLORIDE
C13H16ClNO (237.09203559999997)
4-butyl-4-methylmorpholin-4-ium,bromide
C9H20BrNO (237.07281700000001)
2-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
4-CHLORO-2-(TRIFLUOROMETHYL)-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDINE HYDROCHLORIDE
C8H7ClF3N3 (237.02805679999997)
6-CHLORO-4-HYDROXY-8-METHYLQUINOLINE-3-CARBOXYLIC ACID
2-chloro-4-(trifluoromethyl)acetanilide
C9H7ClF3NO (237.01682379999997)
7-Chloro-4-hydroxy-8-methylquinoline-3-carboxylic acid
8-(aminomethyl)naphthalene-2-carboxylic acid,hydrochloride
1H-pyrazol-5-ol, 3-phenyl-1-(2-pyridinyl)-
C14H11N3O (237.09020759999999)
2-CHLORO-N-(1-METHYL-1H-BENZOIMIDAZOL-2-YLMETHYL)-ACETAMIDE
C11H12ClN3O (237.06688519999997)
Acetamide, N-(4-chloro-3-(trifluoromethyl)phenyl)-
C9H7ClF3NO (237.01682379999997)
1H-Azepine, 1-(2,3-dichloro-1-oxobutyl)hexahydro- (9CI)
C10H17Cl2NO (237.06871320000002)
1-(4-Trifluoromethyl-thiazol-2-yl)-piperazine
C8H10F3N3S (237.05474959999998)
(2-Fluoro-5-(pyrrolidine-1-carbonyl)phenyl)boronic acid
C11H13BFNO3 (237.09724700000004)
4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine
C11H12BrN (237.01530519999997)
5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxylic acid
4-(chloroMethyl)-2-(3-Methoxyphenyl)-5-Methyl-1,3-oxazole
1-(3-FLUOROBENZYL)-5-OXO-PYRROLIDINE-3-CARBOXYLIC ACID
tert-butyl 6-fluoro-2H-pyrazolo[3,4-b]pyridine-3-carboxylate
[2-(2-Fluoro-phenyl)-thiazol-4-yl]-acetic acid
C11H8FNO2S (237.02597599999999)
3-Chloro-2-(2-fluorophenoxy)aniline
C12H9ClFNO (237.03566659999998)
6-Chloro-2-piperazin-1-yl-1,3-benzoxazole
C11H12ClN3O (237.06688519999997)
1-(4-(TRIFLUOROMETHYL)PHENYL)CYCLOPROPANAMINEHYDROCHLORIDE
(2E,4Z)-5-chloro-2-(chloromethyl)-5-phenylpenta-2,4-dienenitrile
C12H9Cl2N (237.01120139999998)
2-Propenoic acid,3-(6-nitro-1,3-benzodioxol-5-yl)-
[4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]boronic acid
z-2-methyl-4-(naphthalen-2-ylmethylene)oxazol-5(4h)-one
2-Quinolinecarboxylicacid, 7-chloro-4-hydroxy-, methyl ester
N-(4-Chlorophenyl)cyclohexanecarboxamide
C13H16ClNO (237.09203559999997)
2-(3-HYDROXYCARBONYL-2-NITROPHENYL)MALONDIALDEHYDE
2-(4-HYDROXYCARBONYL-2-NITROPHENYL)MALONDIALDEHYDE
4-(4-Chlorophenoxy)-3-fluoroaniline
C12H9ClFNO (237.03566659999998)
2-(4-FLUOROPHENYL)-1,3-THIAZOL-4-YL]ACETIC ACID
C11H8FNO2S (237.02597599999999)
1-[[(2S)-2-(2,4-Difluorophenyl)oxiranyl]methyl]-1H-1,2,4-triazole
C11H9F2N3O (237.07136479999997)
8-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride
Esketamine
C13H16ClNO (237.09203559999997)
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
6-Pyruvoyl tetrahydropteridine
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-Amino-4-propyl-5-phosphono-3-pentenoic acid
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists
1-Ethyl-3-[(2-phenylacetyl)amino]thiourea
C11H15N3OS (237.09357799999998)
3-(4-Methylphenyl)-2,1-benzisoxazole-5-carbaldehyde
2-Amino-3-(5-hydroxy-1-benzothiophen-3-yl)propanoic acid
3-(3-ethylpent-1-yn-3-ylamino)thiophene-2-carboxylic Acid
4-(2-Hydrazino-5-methyl-thiazol-4-yl)-benzene-1,2-diol
N-1,10-Phenanthrolin-5-Ylacetamide
C14H11N3O (237.09020759999999)
7-Pyridin-4-yloxyisoquinolin-1-amine
C14H11N3O (237.09020759999999)
2-[[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]azaniumyl]acetate
8-amino-3,8-dideoxy-alpha-D-manno-oct-2-ulosonic acid
12-Imino-7-methyl-3,5,9,11-tetrazatricyclo[6.4.0.02,7]dodecane-4,6,10-trione
3-benzamido-3-oxopropanethioic acid S-methyl ester
methyl N-(1,3-benzodioxol-5-ylmethylidene)aminomethanehydrazonothioate
2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethanesulfonate
5-(Phenylmethyl)-3-(2-pyridinyl)-1,2,4-oxadiazole
C14H11N3O (237.09020759999999)
5-Amino-5-methyl-6-{2-oxo-1,3-diazabicyclo[2.2.0]hex-4-en-6-yl}-1,3-diazinane-2,4-dione
A member of the class of azabicycloalkanes that is 1,3-diazabicyclo[2.2.0]hex-4-en-2-one substituted at position 6 by a 5-amino-5-methyl-2,4-dioxodihydropyrimidin-6-yl group.
6-amino-5-hydroxy-5-methyl-3,4-dihydro[4,4-bipyrimidine]-2,2(1H,5H)-dione
5-amino-4a-methyl-1,4a,4b,8,8a,8b-hexahydrocyclobuta[1,2-d:4,3-d]dipyrimidine-2,4,7(3H)-trione
7-Hydroxyisoflavone(1-)
An organic anion that is the major structure at pH 7.3 of 7-hydroxyisoflavone.
9-Chloro-2-methyl-2-aza-7-azoniatricyclo[6.3.1.04,12]dodeca-1(12),3,8-triene-10,11-dione
Dyspropterin
A tetrahydropterin that is 2-amino-5,6,7,8-tetrahydropteridin-4(3H)-one substituted by a 2-oxopropanoyl group at position 6.
Pyrido(3,4-c)psoralen
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
D-erythro-biopterin
A biopterin in which the 1,2-dihydroxypropyl group has (1S,2R)-configuration.
(R)-dyspropterin
A dyspropterin in which the stereocentre at position 6 has R-configuration.
S-(2-succinyl)-L-cysteine
An L-cysteine thioether that is L-cysteine in which the hydrogen of the thiol group has been replaced by a 1,2-dicarboxyethyl group. It is a chemical modification which occurs in tissue proteins and formed by a Michael addition of cysteine to fumaric acid.
4-amino-5-hydroxy-6-(5-methyl-2-oxo-1,2,3,4-tetrahydropyrimidin-4-yl)-2,5-dihydropyrimidin-2-one
A member of the class of pyrimidones that is 4-amino-5-hydroxy-2,5-dihydropyrimidin-2-one in which the hydrogen at position 6 by a 5-methyl-2-oxo-1,2,3,4-tetrahydropyrimidin-4-yl group.
5-amino-4a-methyl-1,2,3,4,4a,4b,7,8,8a,8b-decahydro-1,3,6,8-tetraazabiphenylene-2,4,7-trione
A member of the class of cyclobutadipyrimidines that is 1,4a,4b,8,8a,8b-hexahydrocyclobuta[1,2-d:4,3-d]dipyrimidine-2,4,7(3H)-trione carrying additional methyl and amino substituents at positions 4a and 5 respectively.
L-Erythro-biopterin
A biopterin in which the 1,2-dihydroxypropyl group has (1R,2S)-configuration; naturally occurring form.
(2s)-2-{[(2r)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acid
2-(chloromethylidene)-1,3-benzodioxepine-7-carboxamide
(2r)-hydroxy-4-(9-adenyl)butyric acid
{"Ingredient_id": "HBIN006548","Ingredient_name": "(2r)-hydroxy-4-(9-adenyl)butyric acid","Alias": "(2r)-hydroxy-4-(9-adenyl)butyricacid","Ingredient_formula": "C9H11N5O3","Ingredient_Smile": "C1=NC2=C(C(=N1)N)N=CN2CCC(C(=O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31139;9765","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}