Exact Mass: 195.06955320000003
Exact Mass Matches: 195.06955320000003
Found 500 metabolites which its exact mass value is equals to given mass value 195.06955320000003,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Acridone
CONFIDENCE standard compound; INTERNAL_ID 2310 Acridone is an organic compound based on the acridine skeleton. Acridone has antibacterial, antimalarial, antiviral and anti neoplastic activities[1]. Acridone is an organic compound based on the acridine skeleton. Acridone has antibacterial, antimalarial, antiviral and anti neoplastic activities[1].
Salicyluric acid
Salicyluric acid is an aryl glycine conjugate formed by the body to eliminate excess salicylates, including aspirin. Aspirin is rapidly hydrolysed to salicylic acid which is further metabolized to various compounds, including salicyluric acid (SU) as well as various acyl and phenolic glucuronides, and hydroxylated metabolites. SU is the major metabolite of SA excreted in urine and it is present in the urine of people who have not taken salicylate drugs, although it has no anti-inflammatory effects in humans or in animals. More salicyluric acid (SU) is excreted in the urine of vegetarians than in non-vegetarians, primarily because fruits and vegetables are important sources of dietary salicylates. However, significantly less (10-15X) SU is excreted by vegetarians than individuals taking low-dose aspirin (PMID: 12944546). The induction of the salicyluric acid formation is one of the saturable pathways of salicylate elimination. The formation of the methyl ester of salicyluric acid is observed during the quantitation of salicyluric acid and other salicylate metabolites in urine by high-pressure liquid chromatography. This methyl ester formation causes artificially low values for salicyluric acid and high values for salicylic acid. (PMID: 6101164, 6857178). Salicyluric acid has been found to be a microbial metabolite. Constituent of milk KEIO_ID H028 Salicyluric acid is an endogenous metabolite.
Tyrosine methylester
Tyrosine methylester, also known as Tyrosine methyl ester hydrochloride, (L)-isomer or Tyr-ome, is classified as a tyrosine or a Tyrosine derivative. Tyrosines are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Tyrosine methylester is considered to be a slightly soluble (in water) and a very weak acidic compound. Tyrosine methylester can be found in humans. KEIO_ID T032 H-Tyr-OMe, an amino acid, is an endogenous metabolite[1].
Dopaquinone
Dopaquinone, also known as o-dopaquinone or L-dopaquinone, is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha-amino acids which have the L-configuration of the alpha-carbon atom. Dopaquinone is slightly soluble (in water) and a moderately acidic compound (based on its pKa). L-Dopaquinone is a metabolite of L-DOPA and a precursor of melanin. Melanin is synthesized from tyrosine by hydroxylation to dihydroxyphenylalanine (DOPA) and subsequent oxidation to dopaquinone. Both reactions are catalyzed by the enzyme tyrosinase, which is the rate-limiting step. Dopaquinone has an ortho-quinone ring, which is known to be neurotoxic and highly reactive with many other compounds (PMID: 413870). Dopaquinone typically combines with cysteine to form pheomelanin (a pigment-polymer). Alternatively, dopaquinone can be converted to leucodopachrome and eventually to eumelanin (also a pigment-polymer). Dopaquinone can be found in skin and feces. Within the cell, dopaquinone is primarily located in the cytoplasm. Dopaquinone is involved in several metabolic disorders, some of which include transient tyrosinemia, hawkinsinuria, tyrosinemia type I, and alkaptonuria. Chronically high levels of dopaquinone are associated with Parkinsons disease (PD). Many Parkinsons patients are treated with L-DOPA. However, long-term treatment with L-DOPA may actually worsen symptoms or result in neurotic and psychotic symptoms. These may be due to dopachrome and dopaquinone accumulating in the brain of L-DOPA treated patients (PMID: 19131041, PMID: 12373519). Dopaquinone is a substrate of enzyme monophenol monooxygenase [EC 1.14.18.1] in tyrosine metabolism pathway (KEGG). [HMDB]
6-hydroxymethyl-7,8-dihydropterin
2-amino-6-(hydroxymethyl)-7,8-dihydropteridin-4-ol, also known as hmdp cpd, belongs to pterins and derivatives class of compounds. Those 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. 2-amino-6-(hydroxymethyl)-7,8-dihydropteridin-4-ol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2-amino-6-(hydroxymethyl)-7,8-dihydropteridin-4-ol can be found in a number of food items such as cardoon, sunburst squash (pattypan squash), climbing bean, and fenugreek, which makes 2-amino-6-(hydroxymethyl)-7,8-dihydropteridin-4-ol a potential biomarker for the consumption of these food products. 2-amino-6-(hydroxymethyl)-7,8-dihydropteridin-4-ol exists in E.coli (prokaryote) and yeast (eukaryote).
1,2-Epoxy-3-(p-nitrophenoxy)propane
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors
Leucodopachrome
Leucodopachrome is an indolic intermediate in the melanogenesis pathway, the non-enzymatically product of dopaquinone through cyclization in a reaction whose operation is determined by a pH greater than 4 (melanin synthesis in human pigment cell lysates is maximal at pH 6.8). Leucodopachrome participates in redox exchange with dopaquinone to give the eumelanin precursor dopachrome plus dopa. Dopaquinone (the quinone intermediate resulting from tyrosinase-mediated oxidation of tyrosine, monophenol dihydroxyphenylalanine:oxygen oxidoreductase, EC 1.14.18.1) could be a toxic metabolite in melanin biosynthesis. (PMID: 6807981, 1445949, 413870, 11461115, 11171088, 12755639) [HMDB]. Leucodopachrome is found in many foods, some of which are chives, saffron, leek, and red beetroot. Leucodopachrome is an indolic intermediate in the melanogenesis pathway, the non-enzymatic product of dopaquinone through cyclization in a reaction whose operation is determined by a pH greater than 4 (melanin synthesis in human pigment cell lysates is maximal at pH 6.8). Leucodopachrome participates in redox exchange with dopaquinone to give the eumelanin precursor dopachrome plus DOPA. Dopaquinone (the quinone intermediate resulting from tyrosinase-mediated oxidation of tyrosine, monophenol dihydroxyphenylalanine:oxygen oxidoreductase, EC 1.14.18.1) could be a toxic metabolite in melanin biosynthesis (PMID: 6807981, 1445949, 413870, 11461115, 11171088, 12755639).
Metyrosine
Metyrosine is only found in individuals that have used or taken this drug. It is an inhibitor of the enzyme tyrosine 3-monooxygenase, and consequently of the synthesis of catecholamines. It is used to control the symptoms of excessive sympathetic stimulation in patients with pheochromocytoma. (Martindale, The Extra Pharmacopoeia, 30th ed)Metyrosine inhibits tyrosine hydroxylase, which catalyzes the first transformation in catecholamine biosynthesis, i.e., the conversion of tyrosine to dihydroxyphenylalanine (DOPA). Because the first step is also the rate-limiting step, blockade of tyrosine hydroxylase activity results in decreased endogenous levels of catecholamines and their synthesis. This consequently, depletes the levels of the catecholamines dopamine, adrenaline and noradrenaline in the body,usually measured as decreased urinary excretion of catecholamines and their metabolites. One main end result of the catecholamine depletion is a decrease in blood presure. C - Cardiovascular system > C02 - Antihypertensives > C02K - Other antihypertensives > C02KB - Tyrosine hydroxylase inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C2155 - Tyrosine Hydroxylase Inhibitor D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
benalfocin
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
Pyridarone
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent
2-Phenyl-1,3-propanediol monocarbamate
2-Phenyl-1,3-propanediol monocarbamate is a metabolite of felbamate. Felbamate (marketed under the brand name Felbatol by MedPointe) is an anti-epileptic drug used in the treatment of epilepsy. It is used to treat partial seizures (with and without generalization) in adults and partial and generalized seizures associated with Lennox-Gastaut syndrome in children. However, an increased risk of potentially fatal aplastic anemia and/or liver failure limit the drugs usage to severe refractory epilepsy. (Wikipedia)
L-Homotyrosine
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3-Methyl-l-tyrosine
A tyrosine derivative that is L-tyrosine in which the hydrogen at position 3 on the phenyl ring is replaced by a methyl group.
(2S)-2-(dihydroxyamino)-5-methylsulfanylpentanoic acid
Surinamine
D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens
Acridone
Acridone is a member of the class of acridines that is 9,10-dihydroacridine substituted by an oxo group at position 9. It is a member of acridines and a cyclic ketone. Acridone is a natural product found in Thamnosma montana with data available. Acridone is an organic compound based on the acridine skeleton. Acridone has antibacterial, antimalarial, antiviral and anti neoplastic activities[1]. Acridone is an organic compound based on the acridine skeleton. Acridone has antibacterial, antimalarial, antiviral and anti neoplastic activities[1].
Alpha-Hydroxyhippuric acid
Alpha-Hydroxyhippuric acid, also known as alpha-hydroxybenzoylglycine or a-hydroxyhippate, belongs to the class of organic compounds known as hippuric acids. Hippuric acids are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine. Alpha-Hydroxyhippuric acid (or Benzamidohydroxyacetic acid) is a carboxylic acid occasionally present in human biofluids. Alpha-hydroxyhippuric acid should not be confused with 2-hydroxyhippuric acid. It is used in the formulation of some herbicides and inks to enhance their action (Patents US 1996-657134, US 1975-627965). It is a substrate for the enzyme peptidyl-alpha-hydroxyglycine alpha-amidating lyase. Alpha-Hydroxyhippuric acid (or Benzamidohydroxyacetic acid) is a hippuric acid derivative that is occasionally present in human biofluids. Alpha-Hydroxyhippuric acid (or Benzamidohydroxyacetic acid) is a carboxylic acid occasionally present in human biofluids. (PMID 10598689, 6511847, 4077949). It is used in the formulation of some herbicides and inks to enhance their action (Patents US 1996-657134, US 1975-627965) [HMDB]
N-Acetyldopamine
N-Acetyldopamine also known as NADA is an acetylated form of dopamine. It is an endogenously produced derivative or metabolite of dopamine. It belongs to the family of compounds known as catecholamines and derivatives. These are compounds containing 4-(2-aminoethyl) pyrocatechol [4-(2-aminoethyl) benzene-1,2-diol] or a derivative thereof. While NADA has been found in the human liver, kidney, and urine, it is unclear what its role is in mammal physiology (PMID: 16179545). NADA exists in both free and conjugated (glucuronide) forms. Conjugated NADA accounts for about 90\\\% of the total excretion of NADA. Urinary excretion of total N-acetyldopamine averages 0.485 micromoles/day in healthy humans (PMID: 6513727). The concentration of NADA is thirteen times higher in children with neuroblastoma than in normal subjects (PMID: 1321164). NADA is known to be a sepiapterin reductase inhibitor (PMID: 16179545). N-acetyldopamine has been shown to inhibit lipopolysaccharide-induced lipid peroxidation in rat brains (PMID: 16179545). N-acetyldopamine (NADA) is a catecholamine that is used by insects as sclerotizing precursors to harden their cuticle[1].
N-acetyl-5-aminosalicylic acid
N-acetyl-5-aminosalicylic acid is a metabolite of mesalazine. Mesalazine, also known as mesalamine or 5-aminosalicylic acid (5-ASA), is an anti-inflammatory drug used to treat inflammatory bowel disease, such as ulcerative colitis and mild-to-moderate Crohns disease. Mesalazine is a bowel-specific aminosalicylate drug that acts locally in the gut and has its predominant actions there, thereby having few systemic side effects. (Wikipedia) D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
4-Carboxyphenylglycine
4-Carboxyphenylglycine is a group I metabotropic glutamate receptor (mGlu) antagaonist by blocking the cystine/glutamate exchanger. In addition, it has modulating effect on the central action of NMDA receptor antagonist. It plays a role in synaptic plasticity and excitability, long term potentiation and long term depression. D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists
4-Hydroxyhippurate
4-Hydroxyhippuric acid is a microbial end-product derived from polyphenol metabolism by the microflora in the intestine (PMID: 22932811). It is derived from 4-hydroxybenzoic acid derivatives which may undergo glycination in the liver and kidney (PMID: 20615997). 4-Hydroxyhippuric acid has been identified in the human placenta (PMID: 32033212). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one
Constituent of Coix lachryma-jobi (Jobs tears), wheat and sweet corn (Zea mays). (R)-2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one is found in many foods, some of which are coffee and coffee products, cereals and cereal products, fats and oils, and alcoholic beverages. 2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one is found in alcoholic beverages. 2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one is a constituent of Coix lachryma-jobi (Jobs tears), wheat and sweet corn (Zea mays).
3-Hydroxyhippuric acid
3-Hydroxyhippuric acid is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction: acyl-CoA + glycine < -- > CoA + N-acylglycine. 3-Hydroxyhippuric acid is an organic acid found in normal human urine. 3-Hydroxyhippuric acid is a metabolite of rutin detected in urine after consumption of tomato juice (a source of rutin). 3-Hydroxyhippuric acid has its origin in dietary procyanidins (a major source of polyphenols consisting of elementary flavan-3-ol (epi)catechin units). 3-Hydroxyhippuric acid is a microbial aromatic acid metabolite derived from dietary polyphenols and flavonoids, found in normal human urine (PMID: 12592675, 2338430, 17015248, 14556848, 12742116). It is a marker of gut Clostridium species. Higher levels are associated with higher levels of Clostridia (PMID: 27123458). 3-Hydroxyhippuric acid is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction: COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 3-Hydroxyhippuric acid is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids.
2-Hydroxy-6,7-dimethoxybenzoxazole
2-Hydroxy-6,7-dimethoxybenzoxazole is found in cereals and cereal products. 2-Hydroxy-6,7-dimethoxybenzoxazole is a constituent of the dried tissues of Zea mays (sweet corn)
9H-Carbazole-3-carboxaldehyde
9H-Carbazole-3-carboxaldehyde is found in fruits. 9H-Carbazole-3-carboxaldehyde is an alkaloid from the roots of Clausena lansium (wampee
L-Dopaquinone
Implicated in food discolouration (enzymatic browning). Implicated in food discolouration (enzymatic browning)
N-methyl-4,6,7-trihydroxy-1,2,3,4-tetrahydroisoquinoline
This compound belongs to the family of Isoquinolines and Derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine
2-((3-Aminopyridin-2-yl)methylene)hydrazinecarbothioamide
4-Acetamidosalicylic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
2-(N-Morpholino)-ethanesulfonic acid
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
Racemetirosine
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
Benzoic acid, 2-(acetyloxy)-5-amino-
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
Acetyl 4-aminosalicylic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
Fluparoxan
C10H10FNO2 (195.06955320000003)
(4R,5R)-1-Aminooxy-2,4,5,6-tetrahydroxyhexan-3-one
1-3-(4,5-dihydrofuranone)-5-(hydroxymethyl)-pyrrole-2-carboxyaldehyde
1-3-(4,5-dihydrofuranone)-5-(hydroxymethyl)-pyrrole-2-carboxyaldehyde is a member of the class of compounds known as alpha amino acid esters. Alpha amino acid esters are ester derivatives of alpha amino acids. 1-3-(4,5-dihydrofuranone)-5-(hydroxymethyl)-pyrrole-2-carboxyaldehyde is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 1-3-(4,5-dihydrofuranone)-5-(hydroxymethyl)-pyrrole-2-carboxyaldehyde can be found in common pea, which makes 1-3-(4,5-dihydrofuranone)-5-(hydroxymethyl)-pyrrole-2-carboxyaldehyde a potential biomarker for the consumption of this food product.
Mannostatin B
An amino cyclitol that is cyclopentane substituted by hydroxy groups at positions 1, 2 and 3, by an amino group at positon 4, and by a methylsulfinyl group at position 5 (the 1R,2R,3R,4S,5R-stereoisomer). It is isolated from the soil bacterium Streptoverticillium verticillium.
o-Hydroxyhippuric acid
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; ONJSZLXSECQROL-UHFFFAOYSA-N_STSL_0215_o-Hydroxyhippuric acid_8000fmol_190326_S2_LC02MS02_058; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. Salicyluric acid is an endogenous metabolite.
6(5H)-Phenanthridinone
D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors
4-Acetamidosalicylic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
N-[2-(3,4-dimethoxyphenyl)ethylidene]hydroxylamine
N-A-BOC-N-D-Z-D-LYSINE
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors
4-hydroxyphenylpyruvic acid oxime
A ketoxime obtained by condensation of the keto group of 4-hydroxyphenylpyruvic acid with hydroxylamine.
N-Acetyl Mesalazine
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates CONFIDENCE standard compound; INTERNAL_ID 2725 CONFIDENCE standard compound; INTERNAL_ID 8622
Salicyluric acid
An N-acylglycine in which the acyl group is specified as 2-hydroxybenzoyl. Salicyluric acid is an endogenous metabolite.
alpha-Hydroxyhippuric acid
An N-acyl-amino acid that is N-benzoylglycine substituted by a hydroxy group at C-2. CONFIDENCE standard compound; INTERNAL_ID 159
MES
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; SXGZJKUKBWWHRA-UHFFFAOYSA-N_STSL_0145_MES_0500fmol_180419_S2_LC02_MS02_15; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.
Benzadox
CONFIDENCE standard compound; INTERNAL_ID 382; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2812; ORIGINAL_PRECURSOR_SCAN_NO 2809 CONFIDENCE standard compound; INTERNAL_ID 382; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2809; ORIGINAL_PRECURSOR_SCAN_NO 2807 CONFIDENCE standard compound; INTERNAL_ID 382; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2808; ORIGINAL_PRECURSOR_SCAN_NO 2805 CONFIDENCE standard compound; INTERNAL_ID 382; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2798; ORIGINAL_PRECURSOR_SCAN_NO 2795 CONFIDENCE standard compound; INTERNAL_ID 382; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2886; ORIGINAL_PRECURSOR_SCAN_NO 2885 CONFIDENCE standard compound; INTERNAL_ID 382; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2812; ORIGINAL_PRECURSOR_SCAN_NO 2808 CONFIDENCE standard compound; INTERNAL_ID 382; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5998; ORIGINAL_PRECURSOR_SCAN_NO 5994 CONFIDENCE standard compound; INTERNAL_ID 382; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5992; ORIGINAL_PRECURSOR_SCAN_NO 5987 CONFIDENCE standard compound; INTERNAL_ID 382; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6028; ORIGINAL_PRECURSOR_SCAN_NO 6025 CONFIDENCE standard compound; INTERNAL_ID 382; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6027; ORIGINAL_PRECURSOR_SCAN_NO 6023
m-Hydroxyhippuric acid
An N-acylglycine that is hippuric acid (N-benzoylglycine) substituted at position 3 on the phenyl ring by a hydroxy group.
3-Hydroxyhippurate
3-Hydroxyhippuric acid is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids.
4-carboxyphenylglycine
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists
p-Hydroxyhippuric Acid
An N-acylglycine that is the 4-hydroxy derivative of hippuric acid.
2,3,4,5-TETRAHYDRO-1H-1,5-METHANO-3-BENZAZEPINE HYDROCHLORIDE
n-acetyl-n-(2-fluorophenyl)acetamide
C10H10FNO2 (195.06955320000003)
3-dimethylamino-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,6-triene-5-thione
N-methyl-3-methylsulfanyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,10-tetraen-5-amine
1-(4-CHLOROPHENYL)-3-HYDROXY-1,2-DIHYDROQUINOXALIN-2-ONE
2-Amino-5,7-dimethoxy-1,2,4-triazole-[1,5-a]-pyrimidine
Glycine,N-(aminoiminomethyl)-N-methyl-ethyl ester, hydrochloride (1:1)
1H-3-Benzazepine, 8-chloro-2,3,4,5-tetrahydro-1-Methyl-, (1S)-
5,8-Dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
8-AMINO-2,3-DIHYDROBENZO[B][1,4]DIOXINE-5-CARBOXYLIC ACID
Hydrazinecarboxamide,2-[1-(2-fluorophenyl)ethylidene]-
1H-Benzimidazole-2-methanamine,5-chloro-alpha-methyl-(9CI)
2-Pyrrolidinecarboxaldehyde, 1-(trifluoroacetyl)- (9CI)
Methyl (S)-5,6,7,8-tetrahydro-5-oxoimidazo[1,5-c]pyrimidine-7-carboxylate
N-(2-Fluorophenyl)-3-oxobutanamide
C10H10FNO2 (195.06955320000003)
METHYL 5-HYDROXYPIPERIDINE-3-CARBOXYLATE HYDROCHLORIDE
6-CHLORO-1,3,4-TRIMETHYL-1H-PYRAZOLO(3,4-B)PYRIDINE
8-hydroxy-8-(trifluoromethyl)-3-azabicyclo[3.2.1]octane
C8H12F3NO (195.08709379999996)
1,3-Cyclopentadiene-1-carboxylic acid,4-[[(aminoiminomethyl)amino]carbonyl]-
METHYL2,3-DIHYDRO-[1,4]DIOXINO[2,3-C]PYRIDINE-7-CARBOXYLATE
2-AMINO-2-(TETRAHYDRO-2H-PYRAN-4-YL)ACETIC ACID HYDROCHLORIDE
4-(trifluoromethyl)cyclohexane-1-carboxamide
C8H12F3NO (195.08709379999996)
(4-CHLORO-6-(METHYLTHIO)PYRIMIDIN-5-YL)METHANAMINE
(2R,4S)-methyl 4-hydroxypiperidine-2-carboxylate hydrochloride
1H-Benzimidazol-5-amine,4-chloro-1,2-dimethyl-(9CI)
Lorcaserin
A - Alimentary tract and metabolism > A08 - Antiobesity preparations, excl. diet products > A08A - Antiobesity preparations, excl. diet products > A08AA - Centrally acting antiobesity products C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist
2H-PYRIMIDO[1,2-B]PYRIDAZIN, 2-CHLORO-7,8-DIMETHYL-
4-Diethylamino-1,1,1-trifluorobut-3-en-2-one
C8H12F3NO (195.08709379999996)
1H-Benzimidazole-2-methanamine,5-chloro-N-methyl-(9CI)
1H-Benzimidazol-2-amine,5-chloro-N,1-dimethyl-(9CI)
1H-Imidazo[4,5-c]pyridine,4-(chloromethyl)-1,2-dimethyl-(9CI)
1,1,1-trifluoro-4-isopropylaminopent-3-en-2-one
C8H12F3NO (195.08709379999996)
2-FLUORO-3,4-DIMETHOXYPHENYLACETONITRILE
C10H10FNO2 (195.06955320000003)
N-(5-acetyl-2-fluorophenyl)acetamide
C10H10FNO2 (195.06955320000003)
4-(2-HYDROXY-ETHYLAMINO)-1,1-DIOXO-TETRAHYDRO-1L6-THIOPHEN-3-OL
pargyline hydrochloride
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
(2R,3R)-(+)-2,3-EPOXY-3-(4-NITROPHENYL)-1-PROPANOL
1H-Pyrrolo[2,3-b]pyridin-3-amine, 5-ethoxy-4-fluoro-
N-(4-Fluorophenyl)-3-oxobutanamide
C10H10FNO2 (195.06955320000003)
Methyl 4-hydroxypiperidine-4-carboxylate hydrochloride
METHYL4,5,6,7-TETRAHYDRO-4-OXOPYRAZOLO[1,5-A]PYRAZINE-2-CARBOXYLATE
7-FLUORO-2,3-DIHYDRO-5-METHOXYBENZO[F][1,4]OXAZEPINE
C10H10FNO2 (195.06955320000003)
(S)-Methyl 2-(morpholin-3-yl)acetate hydrochloride
6-Fluoro-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one
C10H10FNO2 (195.06955320000003)
METHYL 4-HYDROXYPIPERIDINE-2-CARBOXYLATE HYDROCHLORIDE
2,4-dihydro-1H-imidazo[1,2-a]benzimidazole,hydrochloride
(2S,4R)-Methyl 4-hydroxypiperidine-2-carboxylate hydrochloride
7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
C10H10FNO2 (195.06955320000003)
N-(4-Acetyl-2-fluorophenyl)acetamide
C10H10FNO2 (195.06955320000003)
4-(O-METHYLHYDROXYLAMINOCARBONYL)PHENYLBORONIC ACID
1H-Azepine, hexahydro-1-(trifluoroacetyl)- (9CI)
C8H12F3NO (195.08709379999996)
1H-Benzotriazole,1-(chloromethyl)-5,6-dimethyl-(9CI)
(1R,2R,3R,4S,5R)-4-amino-5-[(R)-methylsulfinyl]cyclopentane-1,2,3-triol
(2e)-3-(3,4-Dihydroxyphenyl)-2-Iminopropanoic Acid
Acridone
Acridone is an organic compound based on the acridine skeleton. Acridone has antibacterial, antimalarial, antiviral and anti neoplastic activities[1]. Acridone is an organic compound based on the acridine skeleton. Acridone has antibacterial, antimalarial, antiviral and anti neoplastic activities[1].
(2S)-2-ammonio-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoate
L-idonate
An optically active form of idonate having L-configuration; major species at pH 7.3.
3,5-Dimethylorsellinate
A dihydroxybenzoate that is the conjugate base of 3,5-dimethylorsellinic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(2S,3R,4R)-2,3,4,5-tetrahydroxy-2-(hydroxymethyl)pentanoate
L-Alanyl-L-1-aminoethylphosphonic acid
C5H12N2O4P- (195.05346619999997)
2-Amino-4-[hydroxy(methyl)phosphoryl]pentanoic acid
6,8-Dimethyl-4a,8a-dihydropyrimido[5,4-e][1,2,4]triazine-5,7-dione
(Z)-2-amino-3-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid
1-3-(4,5-dihydrofuranone)-5-(hydroxymethyl)-pyrrole-2-carboxyaldehyde
(2Z)-2-(hydroxyimino)-3-(4-hydroxyphenyl)propanoic acid
2-[(4-Nitrophenoxy)methyl]oxirane
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors
D-Glucosamic acid
Hexanoic acid with four hydroxy groups at C-3, C-4, C-5, C-6, and an amino group at C-2.
Leucodopachrome
Indoline substituted with hydroxy groups at C-5 and -6 and a carboxy group at C-2, and with S stereochemistry at C-2.
Dopaquinone
An L-phenylalanine derivative in which the phenyl group of L-phenylalanine is replaced by a 3,4-dioxocyclohexa-1,5-dien-1-yl group.
3-hydroxyhippuric acid
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 3-Hydroxyhippuric acid is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids.
2-amino-2-deoxy-D-gluconic acid zwitterion
An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of 2-amino-2-deoxy-D-gluconic acid; major species at pH 7.3.
L-dopaquinone zwitterion
Zwitterionic form of L-dopaquinone arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.
SK&F 86466
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
N-(2-hydroxyphenyl)malonamic acid
A dicarboxylic acid monoamide that is malonamic acid in which the amino group is substituted by a (2-hydroxyphenyl)amino group.
2-amino-6-(hydroxymethyl)-7,8-dihydropteridin-4-ol
A dihydropterin that is 7,8-dihydropteridin-4-ol substituted at positions 2 and 6 by amino and hydroxymethyl groups respectively.
2-amino-6-(hydroxymethyl)-7,8-dihydropteridin-4-one
A dihydropterin that is 7,8-dihydropteridin-4-one substituted at positions 2 and 6 by amino and hydroxymethyl groups respectively.
Dihydroferulate
A monocarboxylic acid anion that is the conjugate base of dihydroferulic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.