Exact Mass: 237.12996139999998
Exact Mass Matches: 237.12996139999998
Found 500 metabolites which its exact mass value is equals to given mass value 237.12996139999998,
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
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.
N-Methyl-(RS)-1-benzyl-1,2,3,4-tetrahydroisoquinoline
Didehydroagroclavine
A cationic ergot alkaloid that is the 6,8-dimethyl-6,7,8,9-tetradehydro derivative of ergoline.
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.
Deoxyeritadenine
Deoxyeritadenine is found in mushrooms. Deoxyeritadenine is a constituent of the edible shitake mushroom
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.
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-Deoxypenciclovir
C10H15N5O2 (237.12256900000003)
6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
3-(Cyclohexylamino)-2-hydroxy-1-propanesulfonic acid
C9H19NO4S (237.10347339999998)
Cyheptamide
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent
n-methacryloyl-l-histidine methyl ester
N,N-di-n-propyldopamine
D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
2-Amino-6-(2-hydroxypropanoyl)-2,3-dihydro-1H-pteridin-4-one
viloxazine
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C185721 - Norepinephrine Reuptake Inhibitor D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators
1,3-Benzodioxole-5-carboxylic acid, 6-(2-(dimethylamino)ethyl)-
viloxazine
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C185721 - Norepinephrine Reuptake Inhibitor D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators
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
N,N-diethyl-3,4-dimethoxybenzamide
[Raw Data] CB154_N; N-Diethyl-3; 4-dimethoxybenzamide_pos_50eV_CB000059.txt [Raw Data] CB154_N; N-Diethyl-3; 4-dimethoxybenzamide_pos_40eV_CB000059.txt [Raw Data] CB154_N; N-Diethyl-3; 4-dimethoxybenzamide_pos_30eV_CB000059.txt [Raw Data] CB154_N; N-Diethyl-3; 4-dimethoxybenzamide_pos_20eV_CB000059.txt [Raw Data] CB154_N; N-Diethyl-3; 4-dimethoxybenzamide_pos_10eV_CB000059.txt
N,N-diethyl-2,4-dimethoxybenzamide
[Raw Data] CB156_N; N-Diethyl-2; 4-dimethoxybenzamide_pos_50eV_CB000061.txt [Raw Data] CB156_N; N-Diethyl-2; 4-dimethoxybenzamide_pos_40eV_CB000061.txt [Raw Data] CB156_N; N-Diethyl-2; 4-dimethoxybenzamide_pos_30eV_CB000061.txt [Raw Data] CB156_N; N-Diethyl-2; 4-dimethoxybenzamide_pos_20eV_CB000061.txt [Raw Data] CB156_N; N-Diethyl-2; 4-dimethoxybenzamide_pos_10eV_CB000061.txt
1,2-Dimethyl-4-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydro-isochinolin, Gigantin|6,7-dimethoxy-1,2-dimethyl-1,2,3,4-tetrahydro-isoquinolin-4-ol
rel-(2R,4R,9aS)-hexahydro-4-methyl-3H-spiro[furan-2,9-pyrrolo[1,2-a]azepine]-3,5(2H,4H)-dione|tuberostemospiroline
Hydrazinecarboxamide, 2-[1-(3,4-dimethoxyphenyl)ethylidene]-
(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
1,2-dimethyl-3,4-dihydroxy-5-(4-methoxyphenyl)pyrrolidine
(-)3-carboxy-1,1-dimethyl-7,8-dihydroxy-1,2,3,4-tetrahydroisoquinoline
5-{[(E)-3-(1H-imidazol-4-yl)-2-propenoyl]amino}pentanoic acid
N,N-dihydroxytetrahomomethionine
C9H19NO4S (237.10347339999998)
An N,N-dihydroxy-alpha-amino acid having a 7-thiaoctyl substituent at the 2-position.
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.
3-Hydroxy Carbofuran
Mebendazole-amine
C14H11N3O (237.09020759999999)
(7R,8R,E)-8-methyl-6-((R)-2-methylbut-3-en-1-ylidene)octahydroindolizine-7,8-diol
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.
2,3-dihydro-1,4-benzodioxin-2-ylmethyl dimethylcarbamate
2-[4-(Aminomethyl)phenoxy]acetic acid tert-butyl ester
tert-butyl N-[5-(2-aminoethyl)pyridin-2-yl]carbamate
N-(2,3-dihydro-1H-inden-4-yl)-4,5-dihydro-1H-imidazol-2-amine monohydrochloride
C12H16ClN3 (237.10326859999998)
1-Propanaminium,2-hydroxy-N,N,N-trimethyl-3-[(2-methyl-1-oxo-2-propen-1-yl)oxy]-, chloride(1:1)
(2-Amino-5-chlorophenyl)-cyclohexylmethanone
C13H16ClNO (237.09203559999997)
1-(5-methylfuran-2-carbonyl)piperidine-2-carboxylic acid
Cintriamide
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
Benzenamine,2-(5-phenyl-1,3,4-oxadiazol-2-yl)-
C14H11N3O (237.09020759999999)
1-ETHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-4-AMINE
C11H20BN3O2 (237.16484900000003)
2,3-Dihydro-5,6-dimethoxy-1-(methoxycarbonyl)-1H-indole
diethyl 5-aminobenzene-1,3-dicarboxylate,hydrochloride
3-(1-METHYL-1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-1H-INDOLE-5-CARBONITRILE
4-N-Methylbenzyl-N-carbethoxypiperidine dihydrochloride
4-(CYCLOPENTYLAMINO)-2-(METHYLTHIO)PYRIMIDINE-5-CARBALDEHYDE
C11H15N3OS (237.09357799999998)
Benzenamine,4-(1H-benzimidazol-2-yl)-N,N-dimethyl-
1-(2-fluorobenzyl)piperidine-3-carboxylic acid
C13H16FNO2 (237.11650079999998)
(7-CHLOROTHIAZOLO[5,4-D]PYRIMIDIN-2-YL)-(4-METHOXYPHENYL)AMINE
SPIRO[INDENE-1,4-PIPERIDIN]-3(2H)-ONE HYDROCHLORIDE
C13H16ClNO (237.09203559999997)
tert-butyl N-[2-(pyridin-2-ylamino)ethyl]carbamate
1,2,3,4-tetrahydro-N-(4-methylphenyl)-1-Naphthalenamine
2-[4-(6-Amino-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol
C11H19N5O (237.15895239999998)
1H-Pyrrole-2-carboxylicacid, 4-acetyl-3,5-dimethyl-, 1,1-dimethylethyl ester
2-Fluoro-3-methylpyridine-5-boronic acid, pinacol ester
C12H17BFNO2 (237.13363040000002)
Trans-4-(Maleimidomethyl)cyclohexanecarboxylic Acid
2-Fluoro-6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
C12H17BFNO2 (237.13363040000002)
N-(tert-Butoxycarbonyl)-2-amino-1-phenylboronic acid
(S)-TERT-BUTYL 2-(1H-IMIDAZOL-2-YL)PYRROLIDINE-1-CARBOXYLATE
N-(2-PHENYLETHYL)AMINO ACETALDEHYDE DIETHYL ACETAL
1-(4-FLUORO-BENZYL)-PIPERIDINE-2-CARBOXYLIC ACID
C13H16FNO2 (237.11650079999998)
N-methoxy-N-methyl-4-[(2-methylpropan-2-yl)oxy]benzamide
1-[4-(Diethylamino)-2-methylphenyl]thioure
C12H19N3S (237.12996139999998)
1-(5-methyl-6-oxo-1H-pyrazin-3-yl)piperidine-4-carboxylic acid
ethyl 7-hydroxy-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
1-(4-FLUORO-BENZYL)-PIPERIDINE-4-CARBOXYLIC ACID HYDROCHLORIDE
C13H16FNO2 (237.11650079999998)
(1R,4R)-1-(AMINOMETHYL)-4-(4-FLUOROBENZYL)CYCLOHEXANOL
N-(3-aminopropyl)-N-methylpropane-1,3-diamine,2-(chloromethyl)oxirane
C10H24ClN3O (237.16078039999996)
2-(4-aminophenyl)-1H-quinazolin-4-one
C14H11N3O (237.09020759999999)
1-(4-FLUORO-PHENYLAMINO)-CYCLOHEXANECARBOXYLIC ACID
C13H16FNO2 (237.11650079999998)
4-Hydroxy Benzeneacetic Acid 2-(Dimethylamino)-2-oxoethyl Ester
TERT-BUTYL 6-FLUOROINDOLINE-1-CARBOXYLATE
C13H16FNO2 (237.11650079999998)
2-Fluoro-4-Methylpyridine-5-boronic acid pinacol ester
C12H17BFNO2 (237.13363040000002)
1-[CHLORO(PHENYL)ACETYL]PIPERIDINE
C13H16ClNO (237.09203559999997)
methyl 2-[4-(2-aminoethyl)phenoxy]-2-methylpropanoate
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
(S)-4,5,6,7-TETRAHYDRO-3-PHENYLMETHYL-3H-IMIDAZO[4,5-C]PYRIDINE-6-CARBOXYLICACIDDIHYDROCHLORIDE
tert-butyl 4,4-difluoro-3-hydroxypiperidine-1-carboxylate
2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
C12H17BFNO2 (237.13363040000002)
1-(4-BENZHYDRYLPIPERIDINO)-3-CHLORO-2,2-DIMETHYLPROPAN-1-ONE
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzaldehyde
2-(7-Methoxy-1-naphthyl)ethylamine hydrochloride
C13H16ClNO (237.09203559999997)
tert-Butyl 4-(cyclopropylmethylene)piperidin-1-carboxylate
1-(3-FLUORO-PHENYLAMINO)-CYCLOHEXANECARBOXYLIC ACID
C13H16FNO2 (237.11650079999998)
1-(2-FLUORO-PHENYLAMINO)-CYCLOHEXANECARBOXYLIC ACID
C13H16FNO2 (237.11650079999998)
(4-FLUORO-PHENYL)-(4-OXO-PIPERIDIN-1-YL)-ACETICACID
1-[(2-Chlorophenyl)(MethyliMino)Methyl]cyclopentanol
C13H16ClNO (237.09203559999997)
2-Methyl-2-propanyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylc arbamate
4-[(Pyridin-4-yl)Methyl]-2H-phthalazin-1-one
C14H11N3O (237.09020759999999)
TERT-BUTYL [4-(2-AMINOETHYL)PYRIDIN-2-YL]CARBAMATE
N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methoxyacetamide
tert-butyl 4,5,7,8-tetrahydro-1H-pyrazolo[3,4-d]azepine-6-carboxylate
3-Fluoro-4-(pyrrolidine-1-carbonyl)phenylboronic acid
C11H13BFNO3 (237.09724700000004)
4-PHENYL-1-PIPERIDINEACETYL CHLORIDE
C13H16ClNO (237.09203559999997)
4-Amino-3-fluorophenylboronic Acid Pinacol Ester
C12H17BFNO2 (237.13363040000002)
tert-Butyl 3-methyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate
methyl 2-amino-2-(4-propan-2-yloxyphenyl)propanoate
N-(IMIDAZO[1,2-A]PYRIDIN-3-YL)BENZAMIDE
C14H11N3O (237.09020759999999)
1-(3-FLUOROBENZYL)PIPERIDINE-3-CARBOXYLIC ACID
C13H16FNO2 (237.11650079999998)
1-(4-chlorophenyl)-N-(4-methylpentan-2-yl)ethanimine
4,7-Methano-2H-isoindole-2-aceticacid, octahydro-a-methyl-1,3-dioxo-
trimethyl-[pyridin-4-yl(trimethylsilyl)methyl]silane
2-(4-ACETYL-PIPERAZIN-1-YL)-5-FLUOROANILINE
C12H16FN3O (237.12773379999996)
(S)-3-(((BENZYLOXY)CARBONYL)AMINO)-2-METHYLPROPANOIC ACID
(4-Fluoro-3-(pyrrolidine-1-carbonyl)phenyl)boronic acid
C11H13BFNO3 (237.09724700000004)
N-(Methoxymethyl)-N-(trimethylsilylmethyl)benzylamine
benzyl (3S,4S)-3,4-dihydroxypyrrolidine-1-carboxylate
1-[(2-fluorophenyl)methyl]piperidine-4-carboxylic acid
C13H16FNO2 (237.11650079999998)
(4-METHOXY-2-METHYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER
5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
C12H17BFNO2 (237.13363040000002)
6-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
C12H17BFNO2 (237.13363040000002)
(S)-METHYL 2-((METHOXYCARBONYL)AMINO)-3-PHENYLPROPANOATE
Aceticacid, 2-[4-(acetylamino)phenoxy]-,ethyl ester
tert-butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate
SPIRO[INDENE-2,4-PIPERIDIN]-1(3H)-ONE HYDROCHLORIDE
C13H16ClNO (237.09203559999997)
(2R,6S)-2,6-DIMETHYL-4-(5-NITROPYRIDIN-2-YL)MORPHOLINE
(2-HYDROXY-ETHYL)-PHENYL-CARBAMIC ACID TERT-BUTYL ESTER
3-(((BENZYLOXY)CARBONYL)AMINO)-2-METHYLPROPANOIC ACID
4-Amino-2-fluorophenylboronic Acid Pinacol Ester
C12H17BFNO2 (237.13363040000002)
5-BOC-2-METHYL-6,7-DIHYDRO-2H-PYRAZOLO[4,3-C]PYRIDINE
Tris(Ethylmethylamino)Chlorosilane
C9H24ClN3Si (237.14279339999996)
(R)-N-allyl-N-phenyl tert-butanesulfinamide
C13H19NOS (237.11872839999998)
1H-pyrazol-5-ol, 3-phenyl-1-(2-pyridinyl)-
C14H11N3O (237.09020759999999)
(S)-2-AMINO-3-(3-HYDROXY-4-METHYL-ISOXAZOL-5-YL)-PROPIONICACID
(S)-3-METHYL-2-((PHENOXYCARBONYL)AMINO)BUTANOIC ACID
1-(1-ethyl-5-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxylic acid
(2-Fluoro-5-(pyrrolidine-1-carbonyl)phenyl)boronic acid
C11H13BFNO3 (237.09724700000004)
1-[(3-fluorophenyl)methyl]piperidine-4-carboxylic acid
C13H16FNO2 (237.11650079999998)
tert-butyl 6-fluoro-2H-pyrazolo[3,4-b]pyridine-3-carboxylate
ETHYL 3-HYDROXY-8,9-DIHYDRO-5H-PYRIDAZINO[3,4-D]AZEPINE-7(6H)-CARBOXYLATE
(R)-3-(((BENZYLOXY)CARBONYL)AMINO)-2-METHYLPROPANOIC ACID
2-Fluoro-5-methylpyridine-3-boronic acid pinacol ester
C12H17BFNO2 (237.13363040000002)
3-(4-ACETYL-PIPERAZIN-1-YL)-4-FLUOROANILINE
C12H16FN3O (237.12773379999996)
2-AMINO-5-FLUOROPHENYL BORONIC ACID PINACOL ESTER
C12H17BFNO2 (237.13363040000002)
benzyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate
2-(2-phenyl-imidazo[1,2-a]pyridin-3-yl)-ethylamine
N-(4-Chlorophenyl)cyclohexanecarboxamide
C13H16ClNO (237.09203559999997)
4-(4-ACETYL-PIPERAZIN-1-YL)-2-FLUOROANILINE
C12H16FN3O (237.12773379999996)
1,2-bis(ethenyl)benzene,buta-1,3-diene,prop-2-enenitrile
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
N-(3,5-dimethoxyphenyl)imidodicarbonimidic diamide
C10H15N5O2 (237.12256900000003)
N-Methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
6-Pyruvoyl tetrahydropteridine
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
1-Ethyl-3-[(2-phenylacetyl)amino]thiourea
C11H15N3OS (237.09357799999998)
6-(2-Methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
C10H15N5O2 (237.12256900000003)
5-Propyl-4-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid
Benzoic acid, 4-((trimethylsilyl)amino)-, ethyl ester
C12H19NO2Si (237.11849940000002)
Silanamine, 1,1,1-trimethyl-N-phenyl-N-(trimethylsilyl)-
N-1,10-Phenanthrolin-5-Ylacetamide
C14H11N3O (237.09020759999999)
(2S)-2-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]propanoic acid
7-Pyridin-4-yloxyisoquinolin-1-amine
C14H11N3O (237.09020759999999)
1,2,3,4-Tetrahydroisoquinoline, 6,7,8-trimethoxy-1-methyl-
Decyl sulfate
An organosulfate oxoanion that is the conjugate base of decyl hydrogen sulfate. Isolated from Daphnia pulex, it induces morphological changes of phytoplankton Scenedesmus gutwinskii.
9,17-Dioxo-1,2,3,4,10,19-hexanorandrostan-5-oate
A dioxo monocarboxylic acid anion that is the conjugate base of 9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.
(2S)-2-(dihydroxyamino)-8-(methylsulfanyl)octanoic acid
C9H19NO4S (237.10347339999998)
12-Imino-7-methyl-3,5,9,11-tetrazatricyclo[6.4.0.02,7]dodecane-4,6,10-trione
4-[2-(1-Methylpyrrolidin-2-yl)ethylsulfanyl]phenol
C13H19NOS (237.11872839999998)
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists
5,7-Dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
1-(Tert-butylamino)-3-(4-methylphenyl)thiourea
C12H19N3S (237.12996139999998)
Decylsulfamic acid
A member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a decyl group.
2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethanesulfonate
(S)-1-benzyl-2-methyl-1,2,3,4-tetrahydroisoquinoline
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
(8-Methylnonyl)sulfamic acid
A member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a (8-methylnonyl) group.
(R)-1-benzyl-2-methyl-1,2,3,4-tetrahydroisoquinoline
3-(3,4-dihydroxyphenyl)-N-(3-oxopropyl)propanamide
(E)-1-(4-Methoxyphenyl)-N-(trimethylsilyloxy)ethanimine
C12H19NO2Si (237.11849940000002)
6-Hydroxy-5,7,8-trimethyl-4H-1,3-benzoxazine-3-ethanol
Dyspropterin
A tetrahydropterin that is 2-amino-5,6,7,8-tetrahydropteridin-4(3H)-one substituted by a 2-oxopropanoyl group at position 6.
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.
N,N-di-n-propyldopamine
D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
N-[(S)-lactoyl]-L-phenylalanine
A L-phenylalanine derivative that is L-phenylalanine in which the amino group is replaced by a [(2S)-2-hydroxypropanoyl]amino group. It is a metabolite produced as a result of exercise in mice, racehorses, and humans which suppresses feeding and obesity.
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.
(1r,7as)-7-(hydroxymethyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl (2z)-2-methylbut-2-enoate
[(7r,7ar)-7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl 3-methylbut-2-enoate
7-(hydroxymethyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl 2-methylbut-2-enoate
1-[(1r,2r,7r,9r,10r)-10-hydroxy-12-methyl-4-oxa-12-azatricyclo[7.2.1.0²,⁷]dodec-5-en-6-yl]ethanone
(1s)-7-(hydroxymethyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl (2e)-2-methylbut-2-enoate
9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl (2e)-2-methylbut-2-enoate
(4e,6z,8e)-2-hydroxy-n-(2-methylpropyl)deca-4,6,8-trienimidic acid
(1s)-6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1h-isoquinolin-8-ol
[(7r,7ar)-7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2e)-2-methylbut-2-enoate
(2e,4z)-n-(3-methoxy-3-oxoprop-1-en-2-yl)-7-methylocta-2,4-dienimidic acid
7,8-dihydroxy-1,1-dimethyl-3,4-dihydro-2h-isoquinoline-3-carboxylic acid
(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"}
(?)-3-carboxy-1,1-dimethyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline
{"Ingredient_id": "HBIN008374","Ingredient_name": "(?)-3-carboxy-1,1-dimethyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline","Alias": "NA","Ingredient_formula": "C12H15NO4","Ingredient_Smile": "CC1(C2=CC(=C(C=C2CC(N1)C(=O)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3169","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(?)-3-carboxy-1,1-dimethyl-7,8-dihydroxy-1,2,3,4-tetrahydroisoquinoline
{"Ingredient_id": "HBIN008375","Ingredient_name": "(?)-3-carboxy-1,1-dimethyl-7,8-dihydroxy-1,2,3,4-tetrahydroisoquinoline","Alias": "NA","Ingredient_formula": "C12H15NO4","Ingredient_Smile": "CC1(C2=C(CC(N1)C(=O)O)C=CC(=C2O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3170","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-angeloylheliotridine
{"Ingredient_id": "HBIN013052","Ingredient_name": "7-angeloylheliotridine","Alias": "NA","Ingredient_formula": "C13H19NO3","Ingredient_Smile": "CC=C(C)C(=O)OC1CCN2C1C(=CC2)CO","Ingredient_weight": "237.29 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37194","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "6432671","DrugBank_id": "NA"}
7-senecioylheliotridine
{"Ingredient_id": "HBIN013483","Ingredient_name": "7-senecioylheliotridine","Alias": "NA","Ingredient_formula": "C13H19NO3","Ingredient_Smile": "CC(=CC(=O)OC1CCN2C1C(=CC2)CO)C","Ingredient_weight": "237.29 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37197","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "91746480","DrugBank_id": "NA"}
(1s,7ar)-7-(hydroxymethyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl 3-methylbut-2-enoate
[(7r,7ar)-7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2z)-2-methylbut-2-enoate
(3s)-6,7-dihydroxy-1,1-dimethyl-3,4-dihydro-2h-isoquinoline-3-carboxylic acid
5,12-dimethyl-10-oxo-4-oxa-12-azatricyclo[7.2.1.0²,⁷]dodecane-6-carbaldehyde
1-{4-hydroxy-6-methyl-2h-[1,3]dioxolo[4,5-c]pyridin-2-yl}-3-methylbutan-1-one
(3s)-4-acetyl-6-hydroxy-3-(3-methylbutanoyl)-3h-pyridin-2-one
4-acetyl-6-hydroxy-3-(3-methylbutanoyl)-3h-pyridin-2-one
(5r)-3-[2,5-bis(hydroxymethyl)pyrrol-1-yl]-4,5-dimethyl-5h-furan-2-one
(7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl)methyl 2-methylbut-2-enoate
2-hydroxy-1-(4-hydroxy-2-imino-7,8-dihydro-1h-pteridin-6-yl)propan-1-one
n-[3-(5-isopropyl-6-oxo-1h-pyrazin-2-yl)propyl]guanidine
C11H19N5O (237.15895239999998)