Exact Mass: 229.0326
Exact Mass Matches: 229.0326
Found 500 metabolites which its exact mass value is equals to given mass value 229.0326,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Flonicamid
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 2943 EAWAG_UCHEM_ID 2943; CONFIDENCE standard compound
Chloranocryl
CONFIDENCE standard compound; INTERNAL_ID 512; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4881; ORIGINAL_PRECURSOR_SCAN_NO 4879 CONFIDENCE standard compound; INTERNAL_ID 512; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4870; ORIGINAL_PRECURSOR_SCAN_NO 4866 CONFIDENCE standard compound; INTERNAL_ID 512; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4842; ORIGINAL_PRECURSOR_SCAN_NO 4840 CONFIDENCE standard compound; INTERNAL_ID 512; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4863; ORIGINAL_PRECURSOR_SCAN_NO 4858 CONFIDENCE standard compound; INTERNAL_ID 512; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4866; ORIGINAL_PRECURSOR_SCAN_NO 4863 CONFIDENCE standard compound; INTERNAL_ID 512; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4881; ORIGINAL_PRECURSOR_SCAN_NO 4876
Dimethoate
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 2761 EAWAG_UCHEM_ID 2761; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 8379 CONFIDENCE standard compound; INTERNAL_ID 4003 CONFIDENCE standard compound; INTERNAL_ID 3009 D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
Amiloride
A pyrazine compound inhibiting sodium reabsorption through sodium channels in renal epithelial cells. This inhibition creates a negative potential in the luminal membranes of principal cells, located in the distal convoluted tubule and collecting duct. Negative potential reduces secretion of potassium and hydrogen ions. Amiloride is used in conjunction with diuretics to spare potassium loss. (From Gilman et al., Goodman and Gilmans The Pharmacological Basis of Therapeutics, 9th ed, p705) D049990 - Membrane Transport Modulators > D026941 - Sodium Channel Blockers > D062686 - Epithelial Sodium Channel Blockers D049990 - Membrane Transport Modulators > D026941 - Sodium Channel Blockers > D062646 - Acid Sensing Ion Channel Blockers C - Cardiovascular system > C03 - Diuretics > C03D - Aldosterone antagonists and other potassium-sparing agents C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49186 - Potassium-Sparing Diuretic C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics KEIO_ID A225; [MS2] KO008833 KEIO_ID A225
Lamivudine
Lamivudine is only found in individuals that have used or taken this drug. It is a reverse transcriptase inhibitor and zalcitabine analog in which a sulfur atom replaces the 3' carbon of the pentose ring. It is used to treat Human Immunodeficiency Virus Type 1 (HIV-1) and hepatitis B (HBV).Lamivudine is a synthetic nucleoside analogue and is phosphorylated intracellularly to its active 5-triphosphate metabolite, lamivudine triphosphate (L-TP). This nucleoside analogue is incorporated into viral DNA by HIV reverse transcriptase and HBV polymerase, resulting in DNA chain termination. J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AF - Nucleoside and nucleotide reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent Lamivudine (BCH-189) is an orally active nucleoside reverse transcriptase inhibitor (NRTI). Lamivudine can inhibit HIV reverse transcriptase 1/2 and also the reverse transcriptase of hepatitis B virus. Lamivudine salicylate can penetrate the CNS[1][2].
5-Phosphoribosylamine
5-Phosphoribosylamine is a substrate for Amidophosphoribosyltransferase and Trifunctional purine biosynthetic protein adenosine-3. [HMDB] 5-Phosphoribosylamine is a substrate for Amidophosphoribosyltransferase and Trifunctional purine biosynthetic protein adenosine-3. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
gamma-Fagarine
Gamma-Fagarine is an organic heterotricyclic compound, an organonitrogen heterocyclic compound and an oxacycle. gamma-Fagarine is a natural product found in Haplophyllum bucharicum, Haplophyllum griffithianum, and other organisms with data available. gamma-Fagarine is found in fruits. gamma-Fagarine is an alkaloid from Aegle marmelos (bael fruit
clonidine
C - Cardiovascular system > C02 - Antihypertensives > C02A - Antiadrenergic agents, centrally acting > C02AC - Imidazoline receptor agonists S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EA - Sympathomimetics in glaucoma therapy D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 2720 INTERNAL_ID 2720; CONFIDENCE standard compound KEIO_ID C191 Clonidine is an alpha 2-adrenergic agonist[1].
Clonidine
Clonidine, an imidazoline-derivative hypotensive agent is a centrally-acting α2-adrenergic agonist. It crosses the blood-brain barrier and acts in the hypothalamus to induce a decrease in blood pressure. It may also be administered as an epidural infusion as an adjunct treatment in the management of severe cancer pain that is not relieved by opiate analgesics alone. Clonidine may be used for differential diagnosis of pheochromocytoma in hypertensive patients. Other uses for clonidine include prophylaxis of vascular migraine headaches, treatment of severe dysmenorrhea, management of vasomotor symptoms associated with menopause, rapid detoxification in the management of opiate withdrawal, treatment of alcohol withdrawal used in conjunction with benzodiazepines, management of nicotine dependence, topical use to reduce intraocular pressure in the treatment of open-angle and secondary glaucoma and hemorrhagic glaucoma associated with hypertension, and in the treatment of attention-deficit hyperactivity disorder (ADHD). Clonidine also exhibits some peripheral activity. C - Cardiovascular system > C02 - Antihypertensives > C02A - Antiadrenergic agents, centrally acting > C02AC - Imidazoline receptor agonists S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EA - Sympathomimetics in glaucoma therapy D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Clonidine is an alpha 2-adrenergic agonist[1].
4-Chloro-6,7-dimethoxy-2-benzoxazolinone
4-Chloro-6,7-dimethoxy-2-benzoxazolinone is found in cereals and cereal products. 4-Chloro-6,7-dimethoxy-2-benzoxazolinone is isolated from light-grown sweet corn shoots (Zea mays Isolated from light-grown sweet corn shoots (Zea mays). 4-Chloro-6,7-dimethoxy-2-benzoxazolinone is found in cereals and cereal products and fats and oils.
Pteleine
Pteleine is found in herbs and spices. Pteleine is an alkaloid tentatively identified in cells of Ruta graveolens (rue) grown in continuous light in liq. medium. Alkaloid tentatively identified in cells of Ruta graveolens (rue) grown in continuous light in liq. medium. Pteleine is found in herbs and spices.
5-phospho-beta-D-ribosylaminium(1-)
5-phospho-beta-D-ribosylaminium(1-) is considered to be soluble (in water) and acidic
(E)-3-(2-(1H-Tetrazol-5-YL)vinyl)-6-fluoro-1H-indole
2-Methoxy-10H-phenothiazine
Phosphorothioic acid, O-(4-cyanophenyl) O-methyl ester
4-Amino-1-[(2S,4S)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one
2-(Fluoromethyl)-3-(3,4-dihydroxyphenyl)alanine
Picric acid
Picric acid, also known as acide picrique or c.i. 10305, belongs to the class of organic compounds known as nitrophenols. Nitrophenols are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms. Based on a literature review a significant number of articles have been published on Picric acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). Picric acid is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Picric acid is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources. Picric acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=88-89-1 (retrieved 2024-07-10) (CAS RN: 88-89-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
3-2-carboxyphenylcatechol
3-2-carboxyphenylcatechol is also known as cpc. 3-2-carboxyphenylcatechol is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 3-2-carboxyphenylcatechol can be found in a number of food items such as rocket salad (sspecies), winter squash, garlic, and okra, which makes 3-2-carboxyphenylcatechol a potential biomarker for the consumption of these food products.
4,5-seco-dopa
4,5-seco-dopa 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. 4,5-seco-dopa is practically insoluble (in water) and a moderately acidic compound (based on its pKa). 4,5-seco-dopa can be found in a number of food items such as safflower, yautia, pitanga, and anise, which makes 4,5-seco-dopa a potential biomarker for the consumption of these food products.
5-[(hydroxy)(phenyl)methyl]pyridine-2-carboxylic acid
Showdomycin
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D013439 - Sulfhydryl Reagents D000970 - Antineoplastic Agents
7,8-dimethoxy-furo[2,3-b]quinoline|7,8-Dimethoxyfuro(2,3-b)chinolin|Skimmianine
Tensidol A
A furopyrrole that is 6-benzyl-6H-furo[2,3-b]pyrrole which is substituted by hydroxy groups at positions 3 and 4, and in which the hydrogen attached to the nitrogen is replaced by a benzyl group.
Bruceolline H
An indole alkaloid that is 1,2,3,4-tetrahydrocyclopenta[b]indole substituted by a hydroxy group at position 6, geminal-methyl groups at position 3 and oxo groups at positions 1 and 2. It has been isolated from the ethanol extract of the stems of Brucea mollis.
Carbonarone A
A monocarboxylic acid amide that is 4H-pyran-3-carboxamide substituted by an oxo group at position 4 and a benzyl group at position 6. It has been isolated from Aspergillus niger and Aspergillus carbonarius.
Evolitrin
Evolitrine is a natural product found in Boronia pancheri, Drummondita calida, and other organisms with data available. Evolitrine (7-Methoxydictamnine; Evolitrin) is isolated from Acronychia pedunculata and show anti-inflammatory and antifeedant activities[1]. Evolitrine (7-Methoxydictamnine; Evolitrin) is isolated from Acronychia pedunculata and show anti-inflammatory and antifeedant activities[1].
dimethoate
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 3009
AMILORIDE
D049990 - Membrane Transport Modulators > D026941 - Sodium Channel Blockers > D062686 - Epithelial Sodium Channel Blockers D049990 - Membrane Transport Modulators > D026941 - Sodium Channel Blockers > D062646 - Acid Sensing Ion Channel Blockers C - Cardiovascular system > C03 - Diuretics > C03D - Aldosterone antagonists and other potassium-sparing agents C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49186 - Potassium-Sparing Diuretic C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics CONFIDENCE standard compound; INTERNAL_ID 1085; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2314; ORIGINAL_PRECURSOR_SCAN_NO 2312 CONFIDENCE standard compound; INTERNAL_ID 1085; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2312; ORIGINAL_PRECURSOR_SCAN_NO 2311 CONFIDENCE standard compound; INTERNAL_ID 1085; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2315; ORIGINAL_PRECURSOR_SCAN_NO 2313 CONFIDENCE standard compound; INTERNAL_ID 1085; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2304; ORIGINAL_PRECURSOR_SCAN_NO 2302 CONFIDENCE standard compound; INTERNAL_ID 1085; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2373; ORIGINAL_PRECURSOR_SCAN_NO 2370 CONFIDENCE standard compound; INTERNAL_ID 1085; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2315; ORIGINAL_PRECURSOR_SCAN_NO 2314 CONFIDENCE standard compound; INTERNAL_ID 1085; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4866; ORIGINAL_PRECURSOR_SCAN_NO 4864 CONFIDENCE standard compound; INTERNAL_ID 1085; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4878; ORIGINAL_PRECURSOR_SCAN_NO 4875 CONFIDENCE standard compound; INTERNAL_ID 1085; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4900; ORIGINAL_PRECURSOR_SCAN_NO 4899 CONFIDENCE standard compound; INTERNAL_ID 1085; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4909; ORIGINAL_PRECURSOR_SCAN_NO 4907 INTERNAL_ID 1085; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4909; ORIGINAL_PRECURSOR_SCAN_NO 4907 CONFIDENCE standard compound; INTERNAL_ID 1085; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4914; ORIGINAL_PRECURSOR_SCAN_NO 4912 CONFIDENCE standard compound; INTERNAL_ID 1085; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4905; ORIGINAL_PRECURSOR_SCAN_NO 4903 CONFIDENCE standard compound; INTERNAL_ID 9; HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) INTERNAL_ID 9; CONFIDENCE standard compound; HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu); Flow Injection Flow Injection; CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu)
Lamivudine
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AF - Nucleoside and nucleotide reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent CONFIDENCE standard compound; INTERNAL_ID 903; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1726; ORIGINAL_PRECURSOR_SCAN_NO 1725 CONFIDENCE standard compound; INTERNAL_ID 903; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1732; ORIGINAL_PRECURSOR_SCAN_NO 1730 CONFIDENCE standard compound; INTERNAL_ID 903; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1745; ORIGINAL_PRECURSOR_SCAN_NO 1743 CONFIDENCE standard compound; INTERNAL_ID 903; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1734; ORIGINAL_PRECURSOR_SCAN_NO 1733 CONFIDENCE standard compound; INTERNAL_ID 903; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1740; ORIGINAL_PRECURSOR_SCAN_NO 1736 CONFIDENCE standard compound; INTERNAL_ID 903; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1743; ORIGINAL_PRECURSOR_SCAN_NO 1741 Lamivudine (BCH-189) is an orally active nucleoside reverse transcriptase inhibitor (NRTI). Lamivudine can inhibit HIV reverse transcriptase 1/2 and also the reverse transcriptase of hepatitis B virus. Lamivudine salicylate can penetrate the CNS[1][2].
N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid
8-Methoxy-9-methylfuro[2,3-b]quinolin-4(9H)-one
Origin: Plant; Formula(Parent): C13H11NO3; Bottle Name:Iso-gamma-fagarine; PRIME Parent Name:Iso-gamma-fagarine; PRIME in-house No.:V0305; SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids PRIME in-house No.:V0305; Origin: Plant; Formula(Parent): C13H11NO3; Bottle Name:Iso-gamma-fagarine; PRIME Parent Name:Iso-gamma-fagarine; SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids
5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde
Thiourea,N-[1-(3-chloro-4-pyridinyl)ethyl]-N-methyl-
ETHYL3-CHLORO-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE-2-CARBOXYLATEHYDROCHLORIDE
2-(2-FORMYLAMINO-1,3-THIAZOL-4-YL)-2-(METHOXYIMINO)ACETIC ACID
Pyrimidine,5-(bromomethyl)-4-(dimethylamino)-2-methyl-(8CI)
4-AMINO-2-METHYL-10H-THIENO(2,3-B)(1,5)-BENZODIAZEPINE
5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile
Sodium 2-(cyclohexylamino)ethanesulphonate
METHYL5,6,7,8-TETRAHYDROPYRIDO[4,3-B]PYRAZINE-7-CARBOXYLATEHYDROCHLORIDE
3-[3-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-amine
2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHANAMINE HYDROCHLORIDE
3-AMINO-3-(3-CHLORO-4-METHOXY-PHENYL)-PROPIONIC ACID
7-(TRIFLUOROMETHYL)-3,4-DIHYDRO-1H-BENZO[B]AZEPIN-5(2H)-ONE
Lamprecide
A lampricide is any chemical designed to target the larvae of lampreys in river systems before they develop into parasitic adults. One lampricide is used in the headwaters of Lake Champlain and the Great Lakes to control the sea lamprey (Petromyzon marinus), an invasive species to these lakes.[1] TFM (3-trifluoromethyl-4-nitrophenol) is the main chemical used for this purpose. As it is hydrophobic, it passes through biological membranes.[2] TFM is a metabolic uncoupler—that is, TFM separates the electron transport chain from ATP synthesis, resulting in the failure of the aerobic respiration process. It accomplishes this by disrupting the electrochemical gradient that powers ATP synthase—as an acid, it donates H+ ions to the mitochondrial matrix. The electron transport chain is not affected and continues using oxygen, without producing ATP. While the general opinion is that TFM typically does not harm other fish (due to the relationship between true fish and lampreys), lampricide can be problematic for many amphibians, such as mudpuppies (genus Necturus) which often share the same habitats. Also, some more "primitive" species of fish, such as the sturgeon in the Great Lakes are sensitive to chemicals such as TFM. Lamprecide is a metabolic compound that has been identified in various biological contexts, although it is not as widely recognized as some other metabolites. The term "lamprecide" is less commonly used in scientific literature, and therefore, detailed information about this specific metabolite may be limited. However, the name suggests that it could be associated with the metabolism of lampreys, which are a type of jawless fish, or it might be a compound with a similar structure to other known metabolites or alkaloids. As a metabolite, lamprecide is likely to be a small molecule that is produced as part of the normal metabolic processes within an organism. It may have various biological roles, such as serving as a signaling molecule, a precursor to other compounds, or having a specific physiological function within the organism that produces it. In the context of its chemical structure, lamprecide might be characterized by a unique arrangement of atoms that gives it specific properties. These properties could include a particular reactivity, solubility, or interaction with biological macromolecules like proteins or nucleic acids. Without specific details on the exact structure and function of lamprecide, a more precise description is not possible. If lamprecide is a novel or less-studied metabolite, further research would be needed to determine its: - Chemical structure: The exact arrangement of atoms and functional groups that define the molecule. - Biosynthesis: The metabolic pathways and enzymes involved in the production of lamprecide. - Bioactivity: Any potential pharmacological or toxicological effects it may have on biological systems. - Role in metabolism: Its function within the organism, such as enzyme inhibition, hormone activity, or as a structural component. For a more accurate and detailed description, one would need to refer to the scientific literature or research studies that specifically investigate this compound. Phenol, 4-nitro-3-(trifluoromethyl)-, sodium salt (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=654-66-0 (retrieved 2024-07-10) (CAS RN: 654-66-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
7-CHLORO-5-(PROPYLTHIO)-1H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE
5-CHLORO-2-METHYL-3-NITRO-BENZOIC ACID METHYLESTER
2-Chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid ethyl ester
(z)-2-(2-aminothiazol-4-yl)-2-acetyloxyiminoacetic acid
(5R)-5-(Chloromethyl)-3-(3-fluorophenyl)-2-oxazolidinone
ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
Ethyl 5-Nitro-2,6-Dioxo-3H-Pyrimidine-4-Carboxylate
8-Methyl-6-nitro-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
2,2,2-Trifluoro-1-(3-fluorophenyl)ethylaminehydrochloride
2-((1,2,4-oxadiazol-3-yl)methyl)isoindoline-1,3-dione
5-AMINO-1-(2-NITROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
4-(4-Chlorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride
4-CHLORO-2-(METHYLTHIO)-6-(PYRROLIDIN-1-YL)PYRIMIDINE
4-hydroxy-7-methyl-6-nitro-quinoline-3-carbonitrile
5-Methyl-6-nitro-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
7-methyl-6-nitro-4-oxo-1H-quinoline-3-carbonitrile
2-(3-METHYL-THIOPHEN-2-YL)-THIAZOLIDINE-4-CARBOXYLIC ACID
2-(6-AMINO-4-OXO-1,4-DIHYDRO-PYRIMIDIN-2-YL-SUFANYL)BUTYRIC ACID
3-Chloro-5-(ethoxycarbonyl)-pyridine-2-carboxylic acid
O,O-Dimethyl S-[2-(methylamino)-2-oxoethyl] phosphorodithioate
1H-Pyrrole-2-carboxylic acid, 5-formyl-, phenylmethyl ester
Apricitabine
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
Methyl 3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carboxylate hydrochloride
MPEP hydrochloride
MPEP Hydrochloride is a potent, selective, noncompetitive, orally active and systemically active mGlu5 receptor antagonist, with an IC50 of 36 nM for completely inhibiting quisqualate-stimulated phosphoinositide (PI) hydrolysis. MPEP Hydrochloride has anxiolytic-or antidepressant-like effects[1][2]. MPEP (Hydrochloride) is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
4-(4-Fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyrimidinamine
Ethanone,2-amino-1-(4-methyl-1-piperazinyl)-, hydrochloride (1:2)
1,3-Bis(chloromethyl)-1,1,3,3-tetra methyldisilazane
4-Fluoro-N-methyl-3-(trifluoromethyl)aniline hydrochloride
4-Fluoro-N-methyl-2-(trifluoromethyl)aniline hydrochloride
6-Chloropyridine-2,3-Dicarboxylic Acid Dimethyl Ester
Methyl 3-Amino-3-deoxy-α-D-mannopyranoside, Hydrochloride
4-(chloromethyl)-6-(4-morpholinyl)-1,3,5-triazin-2-amine
1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid
3-AMINO-1-(4-NITROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
Methyl 6-oxo-1-phenyl-1,6-dihydropyridine-3-carboxylate
4-(5-Fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyrimidinamine
6-Chloro-2-pyridinyl 2-methyl-2-propanyl carbonate
[5-chloro-6-(2-methylpropoxy)pyridin-3-yl]boronic acid
2-(2,4,5-TRIFLUOROPHENYL)-4,5-DIHYDRO-4,4-DIMETHYLOXAZOLE
4-chloro-6-methyl-2-phenylpyrimidine-5-carbonitrile
1,3-dihydro-imidazol-2-one-5-(4-cyano) phenyl-4-carboxylic acid
2-(2-Formamidothiazole-4-yl)-2-methoxyimino acetic acid
Ethyl 2-(2-aminothiazol-4-yl)-2-methoxyiminoacetate
2,3-Dihydro-5-oxo-1H,5H-benzo[ij]quinolizine-6-carboxylic acid
5-AMINO-3-METHYL-THIOPHENE-2,4-DICARBOXYLIC ACID DIMETHYL ESTER
3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)aniline
methyl 3-(imino(methoxy)methyl)benzoate hydrochloride
5-Methyl-2-[(methylamino)sulfonyl]phenylboronic acid
C6H3CH3SO2NHCH3B(OH)2 (229.058)
POLY(2-ACRYLAMIDO-2-METHYLPROPANE SULFONIC ACID), SODIUM SALT
6-Methyl-2-oxo-1-phenyl-1,2-dihydropyridine-3-carboxylic acid
8-AMINO-7-CHLORO-2,3-DIHYDROBENZO[B][1,4]DIOXINE-5-CARBOXYLIC ACID
(1S)-2,2,2-Trifluoro-1-(4-fluorophenyl)ethanamine hydrochloride ( 1:1)
tert-butyl 6-chloro-5-hydroxypyridine-3-carboxylate
3-(Isopropylamino)azetidine-3-carboxamide dihydrochloride
(2-Methyl-4-(N-methylsulfamoyl)phenyl)boronic acid
6-(PYRIDIN-3-YL)IMIDAZO[2,1-B]THIAZOLE-5-CARBALDEHYDE
6-(PYRIDIN-4-YL)IMIDAZO[2,1-B]THIAZOLE-5-CARBALDEHYDE
methyl 6-amino-deoxy-galactoyranoside hydrochloride
2-Amino-3,4-thiophenedicarboxylic acid 3-ethyl 4-methyl ester
4-amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one
2-Pyrrolidinecarbonyl chloride, 1-(trifluoroacetyl)-
2-Amino-2-(3,4-dihydroxybenzyl)-3-fluoropropionic acid
Phosphorothioic acid, O-(4-cyanophenyl) O-methyl ester
Methyl 3-(Methylsulfonylamino)benzoate
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-(Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline
p-Dimethylaminodiazobenzenesulfonic acid
D016573 - Agrochemicals D010575 - Pesticides
N-(3-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
1,2,3,4-Tetrahydroquinolin-8-YL dihydrogen phosphate
2-{[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonio}ethanesulfonate
2-Amino-3-[(2,5-dihydroxyphenyl)sulfanyl]propanoate
2-Amino-3-(2,5-dihydroxyphenyl)sulfanylpropanoic acid
4-[(E)-2-(4-hydroxy-6-oxopyran-2-yl)ethenyl]phenolate
2-hydroxy-4-(1-oxo-1,3-dihydro-2H-inden-2-ylidene) but-2-enoate
2-hydroxy-4-(2-oxo-1,3-dihydro-2H-inden-1-ylidene) but-2-enoate
2,3-dihydronaphtho[1,8-bc][1,5]thiazocin-4(5H)-one
2-{[Iminio(phosphonatoamino)methyl]amino}ethanesulfinate
Methyl 2-[(2-methoxyacetyl)amino]thiophene-3-carboxylate
(2E,4Z,6S)-6-amino-2-hydroxy-4-(2-oxoethylidene)hept-2-enedioic acid
(Z)-6-amino-2-hydroxy-4-(2-oxovinyl)hept-3-enedioic acid
[1-(4-Fluorophenyl)-5-amino-4-imidazolyl](imino)acetonitrile
(E)-3-Benzoylmethylene-1-methyl-2,5-pyrrolidinedione
5-Phospho-beta-D-ribosylamine
The beta-anomer of 5-phospho-D-ribosylamine. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Picric acid
C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D004791 - Enzyme Inhibitors > D014475 - Uncoupling Agents
thymol sulfate(1-)
A phenyl sulfate oxoanion that is the conjugate base of thymol sulfate, obtained by deprotonation of the sulfate group; major species at pH 7.3.
N-succinyl-L-glutamic 5-semialdehyde(2-)
Conjugate base of N-succinyl-L-glutamic 5-semialdehyde.
