Exact Mass: 189.00352800000002
Exact Mass Matches: 189.00352800000002
Found 497 metabolites which its exact mass value is equals to given mass value 189.00352800000002,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Quisqualic_acid
Quisqualic acid is a non-proteinogenic alpha-amino acid. Quisqualic acid is an agonist at two subsets of excitatory amino acid receptors, ionotropic receptors that directly control membrane channels and metabotropic receptors that indirectly mediate calcium mobilization from intracellular stores. The compound is obtained from the seeds and fruit of Quisqualis chinensis. An agonist at two subsets of excitatory amino acid receptors, ionotropic receptors that directly control membrane channels and metabotropic receptors that indirectly mediate calcium mobilization from intracellular stores. The compound is obtained from the seeds and fruit of Quisqualis chinensis. D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018690 - Excitatory Amino Acid Agonists Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID Q003 Quisqualic acid (L-Quisqualic acid), a natural analog of glutamate, is a potent and pan two subsets (iGluR and mGluR) of excitatory amino acid (EAA) agonist with an EC50 of 45 nM and a Ki of 10 nM for mGluR1R. Quisqualic acid is isolated from the fruits of Quisqualis indica[1][2]. Quisqualic acid (L-Quisqualic acid), a natural analog of glutamate, is a potent and pan two subsets (iGluR and mGluR) of excitatory amino acid (EAA) agonist with an EC50 of 45 nM and a Ki of 10 nM for mGluR1R. Quisqualic acid is isolated from the fruits of Quisqualis indica[1][2]. Quisqualic acid (L-Quisqualic acid), a natural analog of glutamate, is a potent and pan two subsets (iGluR and mGluR) of excitatory amino acid (EAA) agonist with an EC50 of 45 nM and a Ki of 10 nM for mGluR1R. Quisqualic acid is isolated from the fruits of Quisqualis indica[1][2].
Kynurenic acid
Kynurenic acid is a quinolinemonocarboxylic acid that is quinoline-2-carboxylic acid substituted by a hydroxy group at C-4. It has a role as a G-protein-coupled receptor agonist, a NMDA receptor antagonist, a nicotinic antagonist, a neuroprotective agent, a human metabolite and a Saccharomyces cerevisiae metabolite. It is a monohydroxyquinoline and a quinolinemonocarboxylic acid. It is a conjugate acid of a kynurenate. Kynurenic Acid is under investigation in clinical trial NCT02340325 (FS2 Safety and Tolerability Study in Healthy Volunteers). Kynurenic acid is a natural product found in Ephedra foeminea, Ephedra intermedia, and other organisms with data available. Kynurenic acid is a uremic toxin. Uremic toxins can be subdivided into three major groups based upon their chemical and physical characteristics: 1) small, water-soluble, non-protein-bound compounds, such as urea; 2) small, lipid-soluble and/or protein-bound compounds, such as the phenols and 3) larger so-called middle-molecules, such as beta2-microglobulin. Chronic exposure of uremic toxins can lead to a number of conditions including renal damage, chronic kidney disease and cardiovascular disease. Kynurenic acid (KYNA) is a well-known endogenous antagonist of the glutamate ionotropic excitatory amino acid receptors N-methyl-D-aspartate (NMDA), alphaamino-3-hydroxy-5-methylisoxazole-4-propionic acid and kainate receptors and of the nicotine cholinergic subtype alpha 7 receptors. KYNA neuroprotective and anticonvulsive activities have been demonstrated in animal models of neurodegenerative diseases. Because of KYNAs neuromodulatory character, its involvement has been speculatively linked to the pathogenesis of a number of neurological conditions including those in the ageing process. Different patterns of abnormalities in various stages of KYNA metabolism in the CNS have been reported in Alzheimers disease, Parkinsons disease and Huntingtons disease. In HIV-1-infected patients and in patients with Lyme neuroborreliosis a marked rise of KYNA metabolism was seen. In the ageing process KYNA metabolism in the CNS of rats shows a characteristic pattern of changes throughout the life span. A marked increase of the KYNA content in the CNS occurs before the birth, followed by a dramatic decline on the day of birth. A low activity was seen during ontogenesis, and a slow and progressive enhancement occurs during maturation and ageing. This remarkable profile of KYNA metabolism alterations in the mammalian brain has been suggested to result from the development of the organisation of neuronal connections and synaptic plasticity, development of receptor recognition sites, maturation and ageing. There is significant evidence that KYNA can improve cognition and memory, but it has also been demonstrated that it interferes with working memory. Impairment of cognitive function in various neurodegenerative disorders is accompanied by profound reduction and/or elevation of KYNA metabolism. The view that enhancement of CNS KYNA levels could underlie cognitive decline is supported by the increased KYNA metabolism in Alzheimers disease, by the increased KYNA metabolism in downs syndrome and the enhancement of KYNA function during the early stage of Huntingtons disease. Kynurenic acid is the only endogenous N-methyl-D-aspartate (NMDA) receptor antagonist identified up to now, that mediates glutamatergic hypofunction. Schizophrenia is a disorder of dopaminergic neurotransmission, but modulation of the dopaminergic system by glutamatergic neurotransmission seems to play a key role. Despite the NMDA receptor antagonism, kynurenic acid also blocks, in lower doses, the nicotinergic acetycholine receptor, i.e., increased kynurenic acid levels can explain psychotic symptoms and cognitive deterioration. Kynurenic acid levels are described to be higher in the cerebrospinal fluid (CSF) and in critical central nervous system (CNS) regions of schizophrenics as compared to controls. (A3279, A3280).... Kynurenic acid (KYNA) is a well-known endogenous antagonist of the glutamate ionotropic excitatory amino acid receptors N-methyl-D-aspartate (NMDA), alphaamino-3-hydroxy-5-methylisoxazole-4-propionic acid and kainate receptors and of the nicotine cholinergic subtype alpha 7 receptors. KYNA neuroprotective and anticonvulsive activities have been demonstrated in animal models of neurodegenerative diseases. Because of KYNAs neuromodulatory character, its involvement has been speculatively linked to the pathogenesis of a number of neurological conditions including those in the ageing process. Different patterns of abnormalities in various stages of KYNA metabolism in the CNS have been reported in Alzheimers disease, Parkinsons disease and Huntingtons disease. In HIV-1-infected patients and in patients with Lyme neuroborreliosis a marked rise of KYNA metabolism was seen. In the ageing process KYNA metabolism in the CNS of rats shows a characteristic pattern of changes throughout the life span. A marked increase of the KYNA content in the CNS occurs before the birth, followed by a dramatic decline on the day of birth. A low activity was seen during ontogenesis, and a slow and progressive enhancement occurs during maturation and ageing. This remarkable profile of KYNA metabolism alterations in the mammalian brain has been suggested to result from the development of the organisation of neuronal connections and synaptic plasticity, development of receptor recognition sites, maturation and ageing. There is significant evidence that KYNA can improve cognition and memory, but it has also been demonstrated that it interferes with working memory. Impairment of cognitive function in various neurodegenerative disorders is accompanied by profound reduction and/or elevation of KYNA metabolism. The view that enhancement of CNS KYNA levels could underlie cognitive decline is supported by the increased KYNA metabolism in Alzheimers disease, by the increased KYNA metabolism in downs syndrome and the enhancement of KYNA function during the early stage of Huntingtons disease. Kynurenic acid is the only endogenous N-methyl-D-aspartate (NMDA) receptor antagonist identified up to now, that mediates glutamatergic hypofunction. Schizophrenia is a disorder of dopaminergic neurotransmission, but modulation of the dopaminergic system by glutamatergic neurotransmission seems to play a key role. Despite the NMDA receptor antagonism, kynurenic acid also blocks, in lower doses, the nicotinergic acetycholine receptor, i.e., increased kynurenic acid levels can explain psychotic symptoms and cognitive deterioration. Kynurenic acid levels are described to be higher in the cerebrospinal fluid (CSF) and in critical central nervous system (CNS) regions of schizophrenics as compared to controls. (PMID: 17062375 , 16088227). KYNA has also been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). Kynurenic acid (KYNA) is a well-known endogenous antagonist of the glutamate ionotropic excitatory amino acid receptors N-methyl-D-aspartate (NMDA), alphaamino-3-hydroxy-5-methylisoxazole-4-propionic acid and kainate receptors and of the nicotine cholinergic subtype alpha 7 receptors. KYNA neuroprotective and anticonvulsive activities have been demonstrated in animal models of neurodegenerative diseases. Because of KYNAs neuromodulatory character, its involvement has been speculatively linked to the pathogenesis of a number of neurological conditions including those in the ageing process. Different patterns of abnormalities in various stages of KYNA metabolism in the CNS have been reported in Alzheimers disease, Parkinsons disease and Huntingtons disease. In HIV-1-infected patients and in patients with Lyme neuroborreliosis a marked rise of KYNA metabolism was seen. In the ageing process KYNA metabolism in the CNS of rats shows a characteristic pattern of changes throughout the life span. A marked increase of the KYNA content in the CNS occurs before the birth, followed by a dramatic decline on the day of birth. A low activity was seen during ontogenesis, and a slow and progressive enhancement occurs during maturation and ageing. This remarkable profile of KYNA metabolism alterations in the mammalian brain has been suggested to result from the development of the organisation of neuronal connections and synaptic plasticity, development of receptor recognition sites, maturation and ageing. There is significant evidence that KYNA can improve cognition and memory, but it has also been demonstrated that it interferes with working memory. Impairment of cognitive function in various neurodegenerative disorders is accompanied by profound reduction and/or elevation of KYNA metabolism. The view that enhancement of CNS KYNA levels could underlie cognitive decline is supported by the increased KYNA metabolism in Alzheimers disease, by the increased KYNA metabolism in downs syndrome and the enhancement of KYNA function during the early stage of Huntingtons disease. Kynurenic acid is the only endogenous N-methyl-D-aspartate (NMDA) receptor antagonist identified up to now, that mediates glutamatergic hypofunction. Schizophrenia is a disorder of dopaminergic neurotransmission, but modulation of the dopaminergic system by glutamatergic neurotransmission seems to play a key role. Despite the NMDA receptor antagonism, kynurenic acid also blocks, in lower doses, the nicotinergic acetycholine receptor, i.e., increased kynurenic acid levels can explain psychotic symptoms and cognitive deterioration. Kynurenic acid levels are described to be higher in the cerebrospinal fluid (CSF) and in critical central nervous system (CNS) regions of schizophrenics as compared to controls. (PMID: 17062375, 16088227) [HMDB] D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists A quinolinemonocarboxylic acid that is quinoline-2-carboxylic acid substituted by a hydroxy group at C-4. [Raw Data] CBA11_Kynurenic-acid_pos_30eV_1-3_01_673.txt [Raw Data] CBA11_Kynurenic-acid_pos_50eV_1-3_01_675.txt [Raw Data] CBA11_Kynurenic-acid_pos_40eV_1-3_01_674.txt [Raw Data] CBA11_Kynurenic-acid_neg_30eV_1-3_01_726.txt [Raw Data] CBA11_Kynurenic-acid_pos_20eV_1-3_01_672.txt [Raw Data] CBA11_Kynurenic-acid_pos_10eV_1-3_01_671.txt [Raw Data] CBA11_Kynurenic-acid_neg_20eV_1-3_01_725.txt [Raw Data] CBA11_Kynurenic-acid_neg_50eV_1-3_01_728.txt [Raw Data] CBA11_Kynurenic-acid_neg_40eV_1-3_01_727.txt [Raw Data] CBA11_Kynurenic-acid_neg_10eV_1-3_01_724.txt Kynurenic acid, an endogenous tryptophan metabolite, is a broad-spectrum antagonist targeting NMDA, glutamate, α7 nicotinic acetylcholine receptor. Kynurenic acid is also an agonist of GPR35/CXCR8.
2,6-DICHLOROBENZAMIDE
A member of the class of benzamides that is benzamide substituted by chloro groups at positions 2 and 6. CONFIDENCE standard compound; EAWAG_UCHEM_ID 85 CONFIDENCE standard compound; INTERNAL_ID 3374 CONFIDENCE standard compound; INTERNAL_ID 4051 CONFIDENCE standard compound; INTERNAL_ID 8429
Tricyclazole
Rice fungicid
Thiotepa
C6H12N3PS (189.04895219999997)
N,NN-triethylenethiophosphoramide (ThioTEPA) is a cancer chemotherapeutic member of the alkylating agent group, now in use for over 50 years. It is a stable derivative of N,N,N- triethylenephosphoramide (TEPA). It is mostly used to treat breast cancer, ovarian cancer and bladder cancer. It is also used as conditioning for Bone marrow transplantation. Its main toxicity is myelosuppression. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AC - Ethylene imines C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents > D019653 - Myeloablative Agonists D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D000477 - Alkylating Agents
1-Nitronaphthalene-5,6-oxide
This compound belongs to the family of Nitronaphthalenes. These are polycyclic aromatic compounds containing a naphthalene moiety substituted by one or more nitro groups.
1-Nitronaphthalene-7,8-oxide
This compound belongs to the family of Nitronaphthalenes. These are polycyclic aromatic compounds containing a naphthalene moiety substituted by one or more nitro groups.
(E)-3-(4-hydroxyphenyl)-2-isocyanoprop-2-enoic acid
Lanthionine ketimine
Lanthionine ketimine binds specifically and with high affinity to brain membranes and belong to a class of endogenous sulfur-containing cyclic products provided with a possible neurochemical function (PMID 1761027) [HMDB] Lanthionine ketimine binds specifically and with high affinity to brain membranes and belong to a class of endogenous sulfur-containing cyclic products provided with a possible neurochemical function (PMID 1761027).
2-aminophenol sulphate
2-aminophenol sulphate is a metabolite found in urine of individuals that have consumed whole grains. It is a particularly strong biomarker for whole grain rye bread consumption (PMID: 23307617).
cyclic- 3,4-O-oxalyl-L-threonate
Cyclic- 3,4-o-oxalyl-l-threonate, also known as 3,4-cyclic oxalyl theronolactone, belongs to tricarboxylic acids and derivatives class of compounds. Those are carboxylic acids containing exactly three carboxyl groups. Cyclic- 3,4-o-oxalyl-l-threonate is soluble (in water) and a moderately acidic compound (based on its pKa). Cyclic- 3,4-o-oxalyl-l-threonate can be found in a number of food items such as pot marjoram, arrowhead, naranjilla, and corn salad, which makes cyclic- 3,4-o-oxalyl-l-threonate a potential biomarker for the consumption of these food products.
cyclic-2,3-O-oxalyl-L-threonate
Cyclic-2,3-o-oxalyl-l-threonate, also known as 2,3-cyclic oxalyl theronolactone, belongs to tricarboxylic acids and derivatives class of compounds. Those are carboxylic acids containing exactly three carboxyl groups. Cyclic-2,3-o-oxalyl-l-threonate is soluble (in water) and a moderately acidic compound (based on its pKa). Cyclic-2,3-o-oxalyl-l-threonate can be found in a number of food items such as mustard spinach, ostrich fern, fennel, and malus (crab apple), which makes cyclic-2,3-o-oxalyl-l-threonate a potential biomarker for the consumption of these food products.
D-threo-isocitrate
D-threo-isocitrate, also known as isocitric acid or 1-hydroxytricarballylate, belongs to tricarboxylic acids and derivatives class of compounds. Those are carboxylic acids containing exactly three carboxyl groups. D-threo-isocitrate is soluble (in water) and a weakly acidic compound (based on its pKa). D-threo-isocitrate can be found in a number of food items such as sunflower, endive, mulberry, and chickpea, which makes D-threo-isocitrate a potential biomarker for the consumption of these food products.
Quisqualic acid
Quisqualic acid (L-Quisqualic acid), a natural analog of glutamate, is a potent and pan two subsets (iGluR and mGluR) of excitatory amino acid (EAA) agonist with an EC50 of 45 nM and a Ki of 10 nM for mGluR1R. Quisqualic acid is isolated from the fruits of Quisqualis indica[1][2]. Quisqualic acid (L-Quisqualic acid), a natural analog of glutamate, is a potent and pan two subsets (iGluR and mGluR) of excitatory amino acid (EAA) agonist with an EC50 of 45 nM and a Ki of 10 nM for mGluR1R. Quisqualic acid is isolated from the fruits of Quisqualis indica[1][2]. Quisqualic acid (L-Quisqualic acid), a natural analog of glutamate, is a potent and pan two subsets (iGluR and mGluR) of excitatory amino acid (EAA) agonist with an EC50 of 45 nM and a Ki of 10 nM for mGluR1R. Quisqualic acid is isolated from the fruits of Quisqualis indica[1][2].
α-Cyano-4-hydroxycinnamic acid
Profile spectrum of this record is given as a JPEG file.; [Profile] MCH00005.jpg Profile spectrum of this record is given as a JPEG file.; [Profile] MCH00004.jpg
(+)-(R)-2-(4-hydroxy-2-oxo-2,3-dihydrobenzofuran-3-yl)acetonitrile
Kynurenic acid
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; HCZHHEIFKROPDY-UHFFFAOYSA-N_STSL_0005_Kynurenic acid_2000fmol_180410_S2_LC02_MS02_66; 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. D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists relative retention time with respect to 9-anthracene Carboxylic Acid is 0.374 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.376 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.370 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.372 Kynurenic acid, an endogenous tryptophan metabolite, is a broad-spectrum antagonist targeting NMDA, glutamate, α7 nicotinic acetylcholine receptor. Kynurenic acid is also an agonist of GPR35/CXCR8. Kynurenic acid, an endogenous tryptophan metabolite, is a broad-spectrum antagonist targeting NMDA, glutamate, α7 nicotinic acetylcholine receptor. Kynurenic acid is also an agonist of GPR35/CXCR8. Kynurenic acid, an endogenous tryptophan metabolite, is a broad-spectrum antagonist targeting NMDA, glutamate, α7 nicotinic acetylcholine receptor. Kynurenic acid is also an agonist of GPR35/CXCR8. Transtorine is a quinoline alkaloid, found from Ephedra transitoria, with antibacterial activity[1]. Transtorine is a quinoline alkaloid, found from Ephedra transitoria, with antibacterial activity[1].
Kynurenate
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists Kynurenic acid, an endogenous tryptophan metabolite, is a broad-spectrum antagonist targeting NMDA, glutamate, α7 nicotinic acetylcholine receptor. Kynurenic acid is also an agonist of GPR35/CXCR8. Kynurenic acid, an endogenous tryptophan metabolite, is a broad-spectrum antagonist targeting NMDA, glutamate, α7 nicotinic acetylcholine receptor. Kynurenic acid is also an agonist of GPR35/CXCR8. Kynurenic acid, an endogenous tryptophan metabolite, is a broad-spectrum antagonist targeting NMDA, glutamate, α7 nicotinic acetylcholine receptor. Kynurenic acid is also an agonist of GPR35/CXCR8. Transtorine is a quinoline alkaloid, found from Ephedra transitoria, with antibacterial activity[1]. Transtorine is a quinoline alkaloid, found from Ephedra transitoria, with antibacterial activity[1].
Lanthionine ketimine
A member of the class of 1,4-thiazines that is 3,6-dihydro-2H-1,4-thiazine substituted by carboxy groups at positions 3 and 5. It is a natural but non-proteogenic amino acid found in human urine and brain.
2-Fluoro-4-(methylsulfonyl)aniline
C7H8FNO2S (189.02597599999999)
1H-Imidazole-4-carboxylicacid,2-amino-5-(chlorocarbonyl)-(9CI)
2-[(5-CHLORO-2-PYRIDYL)THIO]ETHAN-1-OL
C7H8ClNOS (189.00151079999998)
2-AMINO-1-(3-FLUOROPHENYL)ETHANONE HYDROCHLORIDE
C8H9ClFNO (189.03566659999998)
4-amino-2-methylsulfanyl-1,3-thiazole-5-carboxamide
1-chloro-4-fluoro-2-methyl-5-nitrobenzene
C7H5ClFNO2 (188.99928320000004)
1-chloro-5-fluoro-4-methyl-2-nitrobenzene
C7H5ClFNO2 (188.99928320000004)
3-FLUORO-4-METHYLBENZENESULFONAMID&
C7H8FNO2S (189.02597599999999)
4-propan-2-yl-1,3-thiazole-2-carbonyl chloride
C7H8ClNOS (189.00151079999998)
2-(Chloromethyl)-1-fluoro-4-nitrobenzene
C7H5ClFNO2 (188.99928320000004)
5-Chloro-1-fluoro-2-methyl-3-nitrobenzene
C7H5ClFNO2 (188.99928320000004)
4-tert-butyl-2-(chloromethyl)-1,3-thiazole
C8H12ClNS (189.03789419999998)
2-chloro-N-(2,2,2-trifluoroethyl)propanamide
C5H7ClF3NO (189.01682379999997)
4-METHOXY-PYRIDINE-2-CARBOXYLIC ACID HYDROCHLORIDE
(2-fluorophenyl)methanesulfonamide
C7H8FNO2S (189.02597599999999)
4,5,6,7-TETRAHYDROBENZO[B]THIOPHEN-2-AMINE HYDROCHLORIDE
C8H12ClNS (189.03789419999998)
(5-Chloro-2-fluoro-4-methylpyridin-3-yl)boronic acid
1,3-Difluoro-5-methoxy-2-nitrobenzene
C7H5F2NO3 (189.02374840000002)
(4-CHLORO-2-METHYLPHENYL)METHYLCYANOCARBONIMIDODITHIOATE
C6H8ClN3S (189.01274379999998)
2-HYDRAZINO-5-METHYL-1,3,4-THIADIAZOLE
C7H8FNO2S (189.02597599999999)
6-fluoro-4-oxochromene-3-carbonitrile
C10H4FNO2 (189.02260560000002)
(3,5-difluoro-4-nitrophenyl)methanol
C7H5F2NO3 (189.02374840000002)
2-Chloro-4-fluoro-3-methyl-1-nitrobenzene
C7H5ClFNO2 (188.99928320000004)
8-Fluoro-3,4-dihydro-2H-benzo[b][1,4]oxazine hydrochloride
C8H9ClFNO (189.03566659999998)
6-Methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid hydrochloride
Adenine hydrochloride
C5H8ClN5O (189.04173479999997)
Adenine monohydrochloride hemihydrate is an endogenous metabolite.
Nifurmerone
C254 - Anti-Infective Agent > C514 - Antifungal Agent
1,2,5-Thiadiazole-3-carboxylicacid,4-[(2-hydroxyethyl)amino]-(9CI)
4-Fluoro-2-methylbenzenesulfonamide
C7H8FNO2S (189.02597599999999)
1,5-Difluoro-3-methoxy-2-nitrobenzene
C7H5F2NO3 (189.02374840000002)
2-Amino-4-chloro-5-fluorobenzoic acid
C7H5ClFNO2 (188.99928320000004)
2-Amino-5-chloro-4-fluorobenzoic acid
C7H5ClFNO2 (188.99928320000004)
2,3-Difluoro-1-methoxy-4-nitrobenzene
C7H5F2NO3 (189.02374840000002)
(+/-)-6-CHLORO-7,8-DIHYDROXY-1-PHENYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINEHYDROBROMIDE
2,4(1H,3H)-Pyrimidinedione,5-[(2-chloroethyl)amino]-
2-hydrazinylpyridine-3-carboxylic acid,hydrochloride
4-BROMO-1H-PYRAZOLE-3-CARBALDEHYDE OXIME, TECH.
C4H4BrN3O (188.95377139999997)
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]ethanol
C5H8ClN5O (189.04173479999997)
Ethyl 2,2-difluoro-3-aminopropanoate hydrochloride
2,4-Dichloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
7-Carboxy-1-hydroxyisoquinoline, 7-Carboxy-1-hydroxy-2-azanaphthalene
1-(trifluoromethyl)Cyclopentan-1-amine hydrochloride
1,2-Difluoro-3-methoxy-4-nitrobenzene
C7H5F2NO3 (189.02374840000002)
4-Amino-4,5-dihydro-6H-cyclopenta[b]thiophen-6-one hydrochloride
C7H8ClNOS (189.00151079999998)
(2-chloro-5-fluoro-3-methylpyridin-4-yl)boronic acid
2-Amino-1-(2-fluorophenyl)ethanone hydrochloride
C8H9ClFNO (189.03566659999998)
N-(2-Fluorophenyl)methanesulfonamide
C7H8FNO2S (189.02597599999999)
4-Fluoro-2-(methylsulfonyl)aniline
C7H8FNO2S (189.02597599999999)
Benzenethiol,2-amino-3,6-dimethyl-
C8H12ClNS (189.03789419999998)
1H-Imidazole-5-carbonylchloride,1-methyl-4-nitro-(9CI)
4-Fluoro-N-methylbenzenesulfonamide
C7H8FNO2S (189.02597599999999)
4(1H)-Pyrimidinone,6-amino-2,3-dihydro-5-nitroso-2-thioxo-, monoammonium salt (9CI)
5-Chloro-2-methyl-4-oxazolecarboxylic acid ethyl ester
3,5-Difluoro-4-methoxynitrobenzene
C7H5F2NO3 (189.02374840000002)
6-fluoro-4-hydroxy-1,7-naphthyridine-3-carbonitrile
1-(Chloromethyl)-2-fluoro-3-nitrobenzene
C7H5ClFNO2 (188.99928320000004)
1-Chloro-5-fluoro-2-methyl-3-nitrobenzene
C7H5ClFNO2 (188.99928320000004)
2-Fluoro-5-(methylsulfonyl)aniline
C7H8FNO2S (189.02597599999999)
4-amino-3-chloro-2-fluorobenzoic acid
C7H5ClFNO2 (188.99928320000004)
1-Chloro-2-fluoro-4-methyl-5-nitrobenzene
C7H5ClFNO2 (188.99928320000004)
2-(Trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
1,2-Difluoro-4-methoxy-5-nitrobenzene
C7H5F2NO3 (189.02374840000002)
6-AMINO-5-BROMOPYRIMIDIN-4(3H)-ONE
C4H4BrN3O (188.95377139999997)
2-Chloro-5-fluoroisonicotinic acid methyl ester
C7H5ClFNO2 (188.99928320000004)
1,5-Difluoro-2-methoxy-4-nitrobenzene
C7H5F2NO3 (189.02374840000002)
2-CHLORO-3-FLUOROISONICOTINIC ACID METHYL ESTER
C7H5ClFNO2 (188.99928320000004)
1-(Chloromethyl)-3-fluoro-5-nitrobenzene
C7H5ClFNO2 (188.99928320000004)
4-(Chloromethyl)-1-fluoro-2-nitrobenzene
C7H5ClFNO2 (188.99928320000004)
(S)-(-)-2-ISOCYANATO-4-(METHYLTHIO)BUTYRIC ACID METHYL ESTER
1-(Difluoromethoxy)-2-nitrobenzene
C7H5F2NO3 (189.02374840000002)
2-(4-FLUOROPHENYL)ETHANIMIDAMIDE HYDROCHLORIDE
C8H9ClFNO (189.03566659999998)
5-(2-FURYL)NICOTINIC ACID 975-(2-FURYL)PYRIDINE-3-CARBOXYLIC ACID
3-Fluoro-4-(Methylsulfonyl)aniline
C7H8FNO2S (189.02597599999999)
Citrate
D064449 - Sequestering Agents > D002614 - Chelating Agents > D065096 - Calcium Chelating Agents D006401 - Hematologic Agents > D000925 - Anticoagulants COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
cyclic- 3,4-O-oxalyl-L-threonate
Cyclic- 3,4-o-oxalyl-l-threonate, also known as 3,4-cyclic oxalyl theronolactone, belongs to tricarboxylic acids and derivatives class of compounds. Those are carboxylic acids containing exactly three carboxyl groups. Cyclic- 3,4-o-oxalyl-l-threonate is soluble (in water) and a moderately acidic compound (based on its pKa). Cyclic- 3,4-o-oxalyl-l-threonate can be found in a number of food items such as pot marjoram, arrowhead, naranjilla, and corn salad, which makes cyclic- 3,4-o-oxalyl-l-threonate a potential biomarker for the consumption of these food products.
3-Dehydroquinate
A hydroxy monocarboxylic acid anion that is obtained by removal of a proton from the carboxylic acid group of 3-dehydroquinic acid.
1-Carboxy-3-chloro-3,4-dihydroxycyclohexa-1,5-diene
(3S,4S)-5-chloro-3,4-dihydroxycyclohexa-1,5-diene-1-carboxylate
3-Chloro-3,5-cyclohexadiene-l,2-diol-1-carboxylate
5-Chloro-3,5-cyclohexadiene-l,2-diol-1-carboxylate
(3R)-3,6-Dihydro-2H-1,4-thiazine-3,5-dicarboxylic acid
thiotepa
C6H12N3PS (189.04895219999997)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AC - Ethylene imines C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents > D019653 - Myeloablative Agonists D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D000477 - Alkylating Agents
Gly-Asp(1-)
A peptide anion obtained by deprotonation of the terminal and side-chain carboxy groups and protonation of the terminal amino group of Gly-Asp; major species at pH 7.3.
D-erythro-isocitrate(3-)
A isocitrate(3-) that is the conjugate base of D-erythro-isocitric acid.
L-threo-isocitrate(3-)
An isocitrate(3-) that is the conjugate base of L-threo-isocitric acid.
Asp-Gly(1-)
A peptide anion obtained by deprotonation of the terminal and side-chain carboxy groups and protonation of the terminal amino group of Asp-Gly; major species at pH 7.3.
quinol sulfate(1-)
An organosulfonate oxoanion that is the conjugate base of quinol sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.
isocitrate(3-)
Propan-1-ol with a hydrogen at each of the 3 carbon positions substituted with a carboxylate group.
citrate(3-)
A tricarboxylic acid trianion, obtained by deprotonation of the three carboxy groups of citric acid.
L-erythro-isocitrate(3-)
An isocitrate(3-) that is the conjugate base of L-erythro-isocitric acid.
gamma-carboxy-L-glutamic acid zwitterion(2-)
A tricarboxylic acid dianion that is obtained from gamma-carboxy-L-glutamic acid by removal of a proton from each of the carboxy groups and protonation of the amino group; the resulting entity has an overall charge of 2-.
1.2-dihydro-2-oxoduindine-4-carboxylic acid
{"Ingredient_id": "HBIN000795","Ingredient_name": "1.2-dihydro-2-oxoduindine-4-carboxylic acid","Alias": "NA","Ingredient_formula": "C10H7NO3","Ingredient_Smile": "C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38411","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
{"Ingredient_id": "HBIN002940","Ingredient_name": "1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid","Alias": "NA","Ingredient_formula": "C10H7NO3","Ingredient_Smile": "C1=CC=C2C(=C1)C(=CNC2=O)C(=O)O","Ingredient_weight": "189.17 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40884","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "643161","DrugBank_id": "NA"}