Exact Mass: 229.0738896
Exact Mass Matches: 229.0738896
Found 500 metabolites which its exact mass value is equals to given mass value 229.0738896,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Flonicamid
C9H6F3N3O (229.04629419999998)
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 2943 EAWAG_UCHEM_ID 2943; CONFIDENCE standard compound
Amiloride
C6H8ClN7O (229.04788279999997)
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].
benz(a)acridine
CONFIDENCE standard compound; INTERNAL_ID 8030 CONFIDENCE standard compound; INTERNAL_ID 10
Benz[c]acridine
CONFIDENCE standard compound; INTERNAL_ID 8306 CONFIDENCE standard compound; INTERNAL_ID 8119
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
N-Hydroxy-meIQX
C11H11N5O (229.09635559999998)
An imidazoquinoxaline that is 3H-imidazo[4,5-f]quinoxaline substituted at positions 3 and 8 by methyl groups and at position 2 by a hydroxyamino group. The active metabolite of the dietary carcinogen MeIQx.
Ergothioneine
Ergothioneine is a naturally occurring metabolite of histidine that has antioxidant properties. -- Pubchem. Ergothioneine is a product of plant origin that accumulates in animal tissues. Ergothioneine is biosynthesized exclusively by fungi and mycobacteria and is captured by plants through their roots. As an ingredient of human food, ET is distributed very unevenly. By far, the highest levels of Ergothioneine have been found in mushrooms (0.1-1 mg/g dried material). Ergothioneine is rapidly cleared from the circulation and then avidly retained with minimal metabolism: the whole-body half-life of ingested Ergothioneine in rats is 1 month. The content of Ergothioneine varies greatly among tissues and is strongly dependent on its dietary level. In addition to erythrocytes and bone marrow, high Ergothioneine levels have also been found in seminal fluid. The precise physiological role of ET has remained elusive since its discovery in 1909. It is known that Ergothioneine is a powerful scavenger of hydroxyl radicals and an inhibitor of iron or copper ion-dependent generation of hydroxyl radicals from hydrogen peroxide (H2O2). A specific ergothioneine transporter has recently been identified (gene symbol SLC22A4 - PMID: 15795384). Ergothioneine appears to play a pivotal protective role in monocytes, because the occurrence of rheumatoid arthritis and Crohns disease has very recently been linked to variant ergothioneine transporter genes (PMID: 15795384). SLC22A4 is highly expressed in the kidney, where it is thought to aid in active secretion of organic cations, and may facilitate the active reabsorption of ergothioneine. A naturally occurring metabolite of histidine that has antioxidant properties. -- Pubchem. Ergothioneine is a product of plant origin that accumulates in animal tissues. Ergothioneine is biosynthesized exclusively by fungi and mycobacteria and is captured by plants through their roots. As an ingredient of human food, ET is distributed very unevenly. By far, the highest levels of Ergothioneine have been found in mushrooms (0.1-1 mg/g dried material). Ergothioneine is rapidly cleared from the circulation and then avidly retained with minimal metabolism: the whole-body half-life of ingested Ergothioneine in rats is 1 month. The content of Ergothioneine varies greatly among tissues and is strongly dependent on its dietary level. In addition to erythrocytes and bone marrow, high Ergothioneine levels have also been found in seminal fluid. The precise physiological role of ET has remained elusive since its discovery in 1909. It is known that Ergothioneine is a powerful scavenger of hydroxyl radicals and an inhibitor of iron or copper ion-dependent generation of hydroxyl radicals from hydrogen peroxide (H2O2). A specific ergothioneine transporter has recently been identified (gene symbol SLC22A4 - PMID: 15795384). Ergothioneine appears to play a pivotal protective role in monocytes, because the occurrence of rheumatoid arthritis and Crohns disease has very recently been linked to variant ergothioneine transporter genes (PMID: 15795384). SLC22A4 is highly expressed in the kidney, where it is thought to aid in active secretion of organic cations, and may facilitate the active reabsorption of ergothioneine. D020011 - Protective Agents > D000975 - Antioxidants Ergothioneine is an imidazole-2-thione derivative with orally active histidine betaine. Ergothioneine is a specific inhibitor of p38-MAPK and Akt, which plays a protective role in cell apoptosis induced by stress. Ergothioneine has antioxidant activity[1][2]. Ergothioneine, an imidazole-2-thione derivative of histidine betaine, is synthesized by certain bacteria and fungi. Ergothioneine is generally considered an antioxidant[1].
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.
Prolyl-Asparagine
Prolyl-Asparagine is a dipeptide composed of proline and asparagine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Asparaginyl-Proline
Asparaginyl-Proline is a dipeptide composed of asparagine and proline. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Endalin
Endalin belongs to the family of Pyrimidine Nucleosides and Analogues. These are compounds comprising a pyrimidine base attached to a sugar. D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D004791 - Enzyme Inhibitors
(E)-3-(2-(1H-Tetrazol-5-YL)vinyl)-6-fluoro-1H-indole
2-Methoxy-10H-phenothiazine
2,4-Bis(2-methoxyethoxy)-1,3,5-triazine
D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials
4-Amino-1-[(2S,4S)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one
Benzo[c]phenanthridine
4,5-Dihydro-1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine
C10H10F3N3 (229.08267759999998)
Lipoxygenase, also known as bw-755c, is a member of the class of compounds known as trifluoromethylbenzenes. Trifluoromethylbenzenes are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. Lipoxygenase is practically insoluble (in water) and a very strong basic compound (based on its pKa). Lipoxygenase can be found in soy bean, which makes lipoxygenase a potential biomarker for the consumption of this food product. Lipoxygenases (EC 1.13.11.-) are a family of (non-heme), iron-containing enzymes most of which catalyze the dioxygenation of polyunsaturated fatty acids in lipids containing a cis,cis-1,4- pentadiene into cell signaling agents that serve diverse roles as autocrine signals that regulate the function of their parent cells, paracrine signals that regulate the function of nearby cells, and endocrine signals that regulate the function of distant cells . D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents BW 755C is a 5-lipoxygenase (5-LO) inhibitor with an IC50 of 5 μM. BW 755C also inhibits cyclooxygenase (COX) with IC50s of 0.65 and 1.2 μg/mL against COX-1 and COX-2, respectively[1][2].
2-(Fluoromethyl)-3-(3,4-dihydroxyphenyl)alanine
Sanazole
C7H11N5O4 (229.08110059999998)
5-(4-Acetamidophenyl)pyrazin-2(1H)-one
D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents
Orgothionenine
Orgothionenine belongs to histidine and derivatives class of compounds. Those are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Orgothionenine is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Orgothionenine can be found in oat, which makes orgothionenine a potential biomarker for the consumption of this food product.
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.
CAERULOMYCINAMIDE
A pyridine alkaloid that is 2,2-bipyridine substituted by a methoxy group at position 4 and an aminocarbonyl group at position 6. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity.
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.
2-amino-5-indol-3-ylmethyl-oxazol-4-one|Antibiotic 927A|C-Desmethyl-N-demethyl-indolmycin|N-Demethyl-C-demethyl-indolmycin
(S)-2-(1-(2-Aminoacetyl)pyrrolidine-2-carboxamido)acetic acid
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].
(5R)-2-amino-5-(1H-indol-3-ylmethyl)-1,3-oxazol-4-one
AMILORIDE
C6H8ClN7O (229.04788279999997)
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)
Ergothioneine
A L-histidine derivative that is N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine in which the hydrogen at position 2 on the imdazole ring is replaced by a mercapto group. A naturally occurring metabolite of histidine synthesized by bacteria and fungi with antioxidant properties. It is found ubiquitously in plants and animals and is present in many human foodstuffs. D020011 - Protective Agents > D000975 - Antioxidants CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 60 Ergothioneine is an imidazole-2-thione derivative with orally active histidine betaine. Ergothioneine is a specific inhibitor of p38-MAPK and Akt, which plays a protective role in cell apoptosis induced by stress. Ergothioneine has antioxidant activity[1][2]. Ergothioneine, an imidazole-2-thione derivative of histidine betaine, is synthesized by certain bacteria and fungi. Ergothioneine is generally considered an antioxidant[1].
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
fenamisal
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent
Asn-pro
A dipeptide composed of L-asparagine and L-proline joined by a peptide linkage.
Pro-asn
A dipeptide formed from L-proline and L-asparagine residues.
Endalin
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D004791 - Enzyme Inhibitors
5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde
Thiourea,N-[1-(3-chloro-4-pyridinyl)ethyl]-N-methyl-
C9H12ClN3S (229.04404219999998)
dimethyl 3-methyl-4-oxopiperidine-1,3-dicarboxylate
C10H15NO5 (229.09501799999998)
ETHYL3-CHLORO-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE-2-CARBOXYLATEHYDROCHLORIDE
[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methanamine
C10H10F3N3 (229.08267759999998)
4-AMINO-2-METHYL-10H-THIENO(2,3-B)(1,5)-BENZODIAZEPINE
5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile
C10H7N5O2 (229.05997220000003)
Phosphonicacid, P-(4-aminophenyl)-, diethyl ester
C10H16NO3P (229.08677559999998)
Sodium 2-(cyclohexylamino)ethanesulphonate
METHYL5,6,7,8-TETRAHYDROPYRIDO[4,3-B]PYRAZINE-7-CARBOXYLATEHYDROCHLORIDE
1-(TERT-BUTOXYCARBONYL)-4-OXOPYRROLIDINE-2-CARBOXYLICACID
C10H15NO5 (229.09501799999998)
4-(2-methylpropoxy)pyridine-2-carboximidamide,hydrochloride
C10H16ClN3O (229.09818359999997)
4-butoxypyridine-2-carboximidamide,hydrochloride
C10H16ClN3O (229.09818359999997)
4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboximidamide,hydrochloride
C10H16ClN3O (229.09818359999997)
(S)-(-)-2-HYDROXY-3,3-DIMETHYLBUTYRICACID
C10H15NO5 (229.09501799999998)
(R)-3-Amino-3-phenylpropanoic acid ethyl ester hydrochloride
4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine
C11H11N5O (229.09635559999998)
(2-Aminomethyl-benzyl)-phosphonic acid dimethyl ester
C10H16NO3P (229.08677559999998)
3-[3-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-amine
C9H6F3N3O (229.04629419999998)
1-benzyl-3-(trifluoromethyl)azetidin-2-one
C11H10F3NO (229.07144459999998)
(r)-3-amino-4-(2-methylphenyl)butanoic acid hydrochloride
(s)-3-amino-4-(3-methylphenyl)butanoic acid hydrochloride
(r)-3-amino-4-(4-methylphenyl)butanoic acid hydrochloride
6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide
3-AMINO-3-(3-CHLORO-4-METHOXY-PHENYL)-PROPIONIC ACID
N-BOC-BELTA-ALANINE-BELTA-METHYL-N-CARBOXYANHYDRIDE
C10H15NO5 (229.09501799999998)
7-(TRIFLUOROMETHYL)-3,4-DIHYDRO-1H-BENZO[B]AZEPIN-5(2H)-ONE
C11H10F3NO (229.07144459999998)
(3-Aminomethyl-benzyl)-phosphonic acid dimethyl ester
C10H16NO3P (229.08677559999998)
tert-butyl-dimethyl-(1,3-thiazol-2-ylmethoxy)silane
tert-butyl N-(3,4-difluorophenyl)carbamate
C11H13F2NO2 (229.09143020000002)
Diethyl 4-oxopyrrolidine-1,3-dicarboxylate
C10H15NO5 (229.09501799999998)
4-PHENYLSULFANYLPIPERIDINE HYDROCHLORIDE
C11H16ClNS (229.06919259999998)
5-amino-1-(3-nitrophenyl)pyrazole-4-carbonitrile
C10H7N5O2 (229.05997220000003)
N-BOC-BELTA-ALANINE-ALPHA-METHYL-N-CARBOXYANHYDRIDE
C10H15NO5 (229.09501799999998)
(R)-[3,4-(METHYLENEDIOXY)PHENYL]-1-BUTYLAMINE HYDROCHLORIDE
osalmid
C78276 - Agent Affecting Digestive System or Metabolism > C66913 - Cholagogues or Choleretic Agents
(S)-3-Amino-3-phenylpropanoic acid ethyl ester hydrochloride
6-chloro-1-(2,2-dimethylpropyl)-2H-pyridine-3-carboxylic acid
ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
2-Isocyanatopentanedioic acid diethyl ester
C10H15NO5 (229.09501799999998)
8-Methyl-6-nitro-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
2-((1,2,4-oxadiazol-3-yl)methyl)isoindoline-1,3-dione
5-AMINO-1-(2-NITROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
C10H7N5O2 (229.05997220000003)
4-(4-Chlorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride
4-CHLORO-2-(METHYLTHIO)-6-(PYRROLIDIN-1-YL)PYRIMIDINE
C9H12ClN3S (229.04404219999998)
(4-(1-Amino-2-methylpropan-2-yl)phenyl)boronic acid hydrochloride
C10H17BClNO2 (229.10408020000003)
1-(tert-Butoxycarbonyl)-5-oxo-L-proline
C10H15NO5 (229.09501799999998)
5-(2-Aminoethyl)-8-hydroxy-4-oxo-1,4-dihydro-3-quinolinecarbonitr ile
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
(S)-3-amino-3-(o-tolyl)propanoic acid hydrochloride
3-chloro-10,11-dihydro-5h-dibenz(b,f)azepine
C14H12ClN (229.06582219999999)
2-(6-AMINO-4-OXO-1,4-DIHYDRO-PYRIMIDIN-2-YL-SUFANYL)BUTYRIC ACID
2-AMINO-1-(4-METHOXY-PHENYL)-5-OXO-4,5-DIHYDRO-1H-PYRROLE-3-CARBONITRILE
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
C14H12ClN (229.06582219999999)
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.
Ethanone, 2-chloro-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]- (9CI)
4-(4-Fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyrimidinamine
Ethanone,2-amino-1-(4-methyl-1-piperazinyl)-, hydrochloride (1:2)
4-ethyl 1-methyl 3-oxopiperidine-1,4-dicarboxylate
C10H15NO5 (229.09501799999998)
ETHYL 2-(4-(AMINOMETHYL)PHENYL)ACETATE HYDROCHLORIDE
8-Amino-2-(1H-tetrazol-5-yl)-4H-chromen-4-one
C10H7N5O2 (229.05997220000003)
2-AMINO-5-METHOXY-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-OL HYDROCHLORIDE
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
C10H7N5O2 (229.05997220000003)
Methyl 6-oxo-1-phenyl-1,6-dihydropyridine-3-carboxylate
4-(5-Fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyrimidinamine
6-[[(2Z)-3-carboxy-1-oxo-2-propenyl]amino]hexanoic acid
C10H15NO5 (229.09501799999998)
6-Chloro-2-pyridinyl 2-methyl-2-propanyl carbonate
tert-Butyl 3,3,3-trifluoro-2-hydroxypropylcarbamate
C8H14F3NO3 (229.09257300000002)
Benzylamine, N-(p-chlorobenzylidene)- (6CI,8CI)
C14H12ClN (229.06582219999999)
[5-chloro-6-(2-methylpropoxy)pyridin-3-yl]boronic acid
ALPHA-METHYL-DL-PHENYLALANINE METHYL ESTER HYDROCHLORIDE
2-(2,4,5-TRIFLUOROPHENYL)-4,5-DIHYDRO-4,4-DIMETHYLOXAZOLE
C11H10F3NO (229.07144459999998)
(r)-3-amino-4-(3-methylphenyl)butanoic acid hydrochloride
(s)-3-amino-4-(2-methylphenyl)butanoic acid hydrochloride
(s)-3-amino-4-(4-methylphenyl)butanoic acid hydrochloride
N-((2,3-DIHYDROBENZO[B][1,4]DIOXIN-6-YL)METHYL)ETHANAMINE HYDROCHLORIDE
1,3-dihydro-imidazol-2-one-5-(4-cyano) phenyl-4-carboxylic acid
Ethyl 2-(2-aminothiazol-4-yl)-2-methoxyiminoacetate
8-(2-CHLORO-ETHYL)-8-AZA-SPIRO[4,5]DECANE-7,9-DIONE
2,3-Dihydro-5-oxo-1H,5H-benzo[ij]quinolizine-6-carboxylic acid
3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)aniline
C9H6F3N3O (229.04629419999998)
methyl 3-(imino(methoxy)methyl)benzoate hydrochloride
5-Methyl-2-[(methylamino)sulfonyl]phenylboronic acid
C6H3CH3SO2NHCH3B(OH)2 (229.0580062)
[4-(benzyloxy)tetrahydrofuran-3-yl]amine hydrochloride
6-Methyl-2-oxo-1-phenyl-1,2-dihydropyridine-3-carboxylic acid
2-Furancarboxamide,N-9H-purin-6-yl-
C10H7N5O2 (229.05997220000003)
tert-butyl 6-chloro-5-hydroxypyridine-3-carboxylate
3-(Isopropylamino)azetidine-3-carboxamide dihydrochloride
(2-Methyl-4-(N-methylsulfamoyl)phenyl)boronic acid
3-(4-DIMETHYLAMINOPHENYL)PROPIONIC ACID HYDROCHLORIDE
2-Chloromethyl-4-(3-methoxypropoxy)-3-methylpyridin
methyl 6-amino-deoxy-galactoyranoside hydrochloride
N-(2,4-Dichlorophenyl)ethanesulfonamide
C11H13F2NO2 (229.09143020000002)
6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
2-(4-fluorophenyl)-1-(6-methylpyridin-2-yl)ethanone
5-(2-(Pyrrolidin-1-yl)ethylthio)thiazol-2-amine
C9H15N3S2 (229.07073499999998)
DIETHYL (4-PYRIDINEMETHYL) PHOSPHONATE
C10H16NO3P (229.08677559999998)
1-[4-(trifluoromethyl)phenyl]-2-pyrrolidinone
C11H10F3NO (229.07144459999998)
[(4-Ethylphenyl)amino]carbonylphosphonic acid
C9H12NO4P (229.05039219999998)
(5S)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
4-amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one
2-Amino-2-(3,4-dihydroxybenzyl)-3-fluoropropionic acid
2-(Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline
C11H10F3NO (229.07144459999998)
p-Dimethylaminodiazobenzenesulfonic acid
D016573 - Agrochemicals D010575 - Pesticides
N-(3-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Ovothiol C
A L-histidine derivative that is N,N-dimethyl-L-histidine substituted at positions N3 and C5 on the imidazole ring by methyl and mercapto groups respectively.
3-Amino-1-[2-(4-chlorophenyl)ethyl]thiourea
C9H12ClN3S (229.04404219999998)
1-[3-(Trifluoromethyl)phenyl]pyrrolidin-2-one
C11H10F3NO (229.07144459999998)
Benzenesulfonamide, N-trimethylsilyl-
C9H15NO2SSi (229.05927300000002)
1(2H)-Pyrimidinecarboxamide, N-butyl-5-fluoro-3,4-dihydro-2,4-dioxo-
1,2,3,4-Tetrahydroquinolin-8-YL dihydrogen phosphate
C9H12NO4P (229.05039219999998)
2-(Pyrido[1,2-e]purin-4-yl)amino-ethanol
C11H11N5O (229.09635559999998)
Anaprox
C14H13O3- (229.08646480000002)
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D018501 - Antirheumatic Agents > D006074 - Gout Suppressants D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
2-{[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonio}ethanesulfonate
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
8-(Carboxylatomethylamino)-8-oxooctanoate
C10H15NO5-2 (229.09501799999998)
L-(+)-ERGOTHIONEINE
2,3-dihydronaphtho[1,8-bc][1,5]thiazocin-4(5H)-one
(5R)-2-Amino-5-(1H-indol-3-ylmethyl)-1,3-oxazol-4-one
(2E,4Z,6S)-6-amino-2-hydroxy-4-(2-oxoethylidene)hept-2-enedioic acid
(2S)-2-(dimethylazaniumyl)-3-(1-methyl-4-sulfanyl-1H-imidazol-5-yl)propanoate
(Z)-6-amino-2-hydroxy-4-(2-oxovinyl)hept-3-enedioic acid
[1-(4-Fluorophenyl)-5-amino-4-imidazolyl](imino)acetonitrile
N-[(E)-1-Pyridin-3-ylethylideneamino]furan-2-carboxamide
5-[(2S)-2-carboxy-2-(trimethylazaniumyl)ethyl]-1H-imidazole-2-thiolate
2-Hydroxymethyl-1-methyl-5-nitroimidazole, TMS derivative
C8H15N3O3Si (229.08826399999998)
(E)-3-Benzoylmethylene-1-methyl-2,5-pyrrolidinedione
(Z)-4-methoxy-2,2-bipyridine-6-carbaldehyde oxime
A pyridine alkaloid that is 2,2-bipyridine substituted by a methoxy group at position 4 and a (Z)-(hydroxyimino)methyl group at position 6. It has been isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus.
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.
caerulomycin A
A pyridine alkaloid that is 2,2-bipyridine substituted by a methoxy group at position 4 and a (E)-(hydroxyimino)methyl group at position 6. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity.
N-succinyl-L-glutamic 5-semialdehyde(2-)
Conjugate base of N-succinyl-L-glutamic 5-semialdehyde.
ergothioneine thione form
A L-histidine derivative that is N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine in which the hydrogen at position 2 on the imdazole ring is replaced by a thioxo group.
ovothiol C zwitterion
An L-alpha-amino acid zwitterion formed from ovothiol C by transfer of a proton from the carboxy to the amino group; major species at pH 7.3.
3-hydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methoxypyrrolidin-2-one
C10H15NO5 (229.09501799999998)
3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxypyrrol-2-one
(2s)-3-(2-sulfanyl-3h-imidazol-4-yl)-2-(trimethylammonio)propanoate
2,4-dimethyl 5-hydroxy-4-methoxypyrrole-2,4-dicarboxylate
1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
1-[(3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
(6z)-4-methoxy-6-(nitrosomethylidene)-1h-2,2'-bipyridine
3-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxypyrrol-2-one
5-[hydroxy(phenyl)methyl]pyridine-2-carboxylic acid
1-[(2r,5s)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-4-iminopyrimidin-2-ol
(5r)-2-imino-5-(1h-indol-3-ylmethyl)-5h-1,3-oxazol-4-ol
(z)-n-({4-methoxy-[2,2'-bipyridin]-6-yl}methylidene)hydroxylamine
3-hydroxy-2-{[hydroxy(5-iminopyrrolidin-2-yl)methylidene]amino}butanoic acid
5-[(r)-hydroxy(phenyl)methyl]pyridine-2-carboxylic acid
n-({4-methoxy-[2,2'-bipyridin]-6-yl}methylidene)hydroxylamine
2,4-dimethyl (4s)-5-hydroxy-4-methoxypyrrole-2,4-dicarboxylate
n-{3,8-dimethylimidazo[4,5-f]quinoxalin-2-yl}hydroxylamine
C11H11N5O (229.09635559999998)
(2s,3r)-3-hydroxy-2-({hydroxy[(2s)-5-iminopyrrolidin-2-yl]methylidene}amino)butanoic acid
(3r,5r)-3-hydroxy-1-[(2r)-3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methoxypyrrolidin-2-one
C10H15NO5 (229.09501799999998)