Exact Mass: 225.0848
Exact Mass Matches: 225.0848
Found 500 metabolites which its exact mass value is equals to given mass value 225.0848
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
6-Benzylaminopurine
6-Benzylaminopurine (6-BAP), also known as N6-benzyladenine or cytokinin B, belongs to the class of organic compounds known as 6-alkylaminopurines. 6-Alkylaminopurines are compounds that contain an alkylamine group attached at the 6-position of a purine. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. 6-Benzylaminopurine is a very strong basic compound (based on its pKa). Outside of the human body, 6-benzylaminopurine has been detected, but not quantified in, garden tomato (var.) and wild celeries. This could make 6-benzylaminopurine a potential biomarker for the consumption of these foods. 6-Benzylaminopurine is a synthetic cytokinin applied externally postharvest to maintain the quality, delay senescence, and improve the nutritional value of green vegetables (PMID: 22148319). 6-Benzylaminopurine, benzyl adenine or BAP is a first-generation synthetic cytokinin which elicits plant growth and development responses, setting blossoms and stimulating fruit richness by stimulating cell division. It is an inhibitor of respiratory kinase in plants, and increases post-harvest life of green vegetables. Cytokinin B is found in wild celery and garden tomato (variety). CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6963; ORIGINAL_PRECURSOR_SCAN_NO 6960 CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3175; ORIGINAL_PRECURSOR_SCAN_NO 3173 CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6962; ORIGINAL_PRECURSOR_SCAN_NO 6960 CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6947; ORIGINAL_PRECURSOR_SCAN_NO 6945 CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6966; ORIGINAL_PRECURSOR_SCAN_NO 6965 CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6971; ORIGINAL_PRECURSOR_SCAN_NO 6967 CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3236; ORIGINAL_PRECURSOR_SCAN_NO 3235 CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6911; ORIGINAL_PRECURSOR_SCAN_NO 6907 CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3181; ORIGINAL_PRECURSOR_SCAN_NO 3179 CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3214; ORIGINAL_PRECURSOR_SCAN_NO 3213 CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3173; ORIGINAL_PRECURSOR_SCAN_NO 3171 D006133 - Growth Substances > D010937 - Plant Growth Regulators KEIO_ID B015; [MS2] KO008874 KEIO_ID B015 6-Benzylaminopurine (Benzyladenine) is the first cytokinin that causes plant growth and development by stimulating cell division and inhibiting respiratory kinases, thereby prolonging the preservation of green vegetables[1]. 6-Benzylaminopurine is the first cytokinin that causes plant growth and development by stimulating cell division and inhibiting respiratory kinases, thereby prolonging the preservation of green vegetables.
Aciclovir
Aciclovir is only found in individuals that have used or taken this drug. It is a guanosine analog that acts as an antimetabolite. Viruses are especially susceptible. Used especially against herpes. [PubChem]Viral (HSV-1, HSV-2 and VZV) thymidine kinase converts aciclovir to the aciclovir monophosphate, which is then converted to the diphosphate by cellular guanylate kinase, and finally to the triphosphate by phosphoglycerate kinase, phosphoenolpyruvate carboxykinase, and pyruvate kinase. Aciclovir triphosphate competitively inhibits viral DNA polymerase and competes with the natural deoxyguanosine triphosphate, for incorporation into viral DNA. Once incorporated, aciclovir triphosphate inhibits DNA synthesis by acting as a chain terminator. J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AB - Nucleosides and nucleotides excl. reverse transcriptase inhibitors D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BB - Antivirals S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AD - Antivirals D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent KEIO_ID A071; [MS2] KO008862 KEIO_ID A071 Acyclovir (Aciclovir) is a potent, orally active antiviral agent. Acyclovir has antiherpetic activity with IC50 values of 0.85 μM and 0.86 μM for HSV-1 and HSV-2, respectively. Acyclovir induces cell cycle perturbation and apoptosis. Acyclovir prevents bacterial infections during induction therapy for acute leukaemia[1][2][3][4].
Murrayanine
Murrayanine is found in herbs and spices. Murrayanine is an alkaloid from the stem bark of Murraya koenigii (curryleaf tree). Alkaloid from the stem bark of Murraya koenigii (curryleaf tree). Murrayanine is found in herbs and spices.
4-amino-4-deoxychorismate
4-amino-4-deoxychorismate, also known as adc, belongs to dicarboxylic acids and derivatives class of compounds. Those are organic compounds containing exactly two carboxylic acid groups. 4-amino-4-deoxychorismate is soluble (in water) and a weakly acidic compound (based on its pKa). 4-amino-4-deoxychorismate can be found in a number of food items such as chives, narrowleaf cattail, green vegetables, and chicory leaves, which makes 4-amino-4-deoxychorismate a potential biomarker for the consumption of these food products. 4-amino-4-deoxychorismate exists in E.coli (prokaryote) and yeast (eukaryote).
2-Amino-2-deoxyisochorismate
Ethiofencarb
CONFIDENCE standard compound; INTERNAL_ID 983; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8426; ORIGINAL_PRECURSOR_SCAN_NO 8421 CONFIDENCE standard compound; INTERNAL_ID 983; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8413; ORIGINAL_PRECURSOR_SCAN_NO 8408 CONFIDENCE standard compound; INTERNAL_ID 983; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8398; ORIGINAL_PRECURSOR_SCAN_NO 8394 CONFIDENCE standard compound; INTERNAL_ID 983; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8358; ORIGINAL_PRECURSOR_SCAN_NO 8353 CONFIDENCE standard compound; INTERNAL_ID 983; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8391; ORIGINAL_PRECURSOR_SCAN_NO 8387 CONFIDENCE standard compound; INTERNAL_ID 983; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8372; ORIGINAL_PRECURSOR_SCAN_NO 8370 Systemic agricultural insecticide. Ethiofencarb is used for control of aphids on hard and soft fruits, vegetables and sugar bee C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
AZIPROTRYNE
CONFIDENCE standard compound; INTERNAL_ID 849; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4792; ORIGINAL_PRECURSOR_SCAN_NO 4789 CONFIDENCE standard compound; INTERNAL_ID 849; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4783; ORIGINAL_PRECURSOR_SCAN_NO 4779 CONFIDENCE standard compound; INTERNAL_ID 849; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9142; ORIGINAL_PRECURSOR_SCAN_NO 9141 CONFIDENCE standard compound; INTERNAL_ID 849; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4431; ORIGINAL_PRECURSOR_SCAN_NO 4429 CONFIDENCE standard compound; INTERNAL_ID 849; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4771; ORIGINAL_PRECURSOR_SCAN_NO 4769 CONFIDENCE standard compound; INTERNAL_ID 849; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9212; ORIGINAL_PRECURSOR_SCAN_NO 9210 CONFIDENCE standard compound; INTERNAL_ID 849; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9192; ORIGINAL_PRECURSOR_SCAN_NO 9190 CONFIDENCE standard compound; INTERNAL_ID 849; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4813; ORIGINAL_PRECURSOR_SCAN_NO 4812 CONFIDENCE standard compound; INTERNAL_ID 849; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9238; ORIGINAL_PRECURSOR_SCAN_NO 9237 CONFIDENCE standard compound; INTERNAL_ID 849; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4764; ORIGINAL_PRECURSOR_SCAN_NO 4762 CONFIDENCE standard compound; INTERNAL_ID 849; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9168; ORIGINAL_PRECURSOR_SCAN_NO 9166 CONFIDENCE standard compound; INTERNAL_ID 849; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9215; ORIGINAL_PRECURSOR_SCAN_NO 9214
1-(Methylnitrosoamino)-4-(3-pyridinyl)-1,4-butanediol
alpha-[3-[(Hydroxymethyl)nitrosoamino]propyl]-3-pyridinemethanol
alpha-[3-[(Hydroxymethyl)nitrosoamino]propyl]-3-pyridinemethanol is considered to be slightly soluble (in water) and relatively neutral
Nnal-N-oxide
Nnal-n-oxide belongs to the family of Pyridines and Derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
N-Chloroacetyl-2,6-diethylaniline
Soil degradation production of Alachlor
Mesurol
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D008975 - Molluscacides CONFIDENCE standard compound; INTERNAL_ID 2580 CONFIDENCE standard compound; INTERNAL_ID 4057 CONFIDENCE standard compound; INTERNAL_ID 8433 D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
1-Hydroxy-10-methylacridone
1-Hydroxy-10-methylacridone is found in herbs and spices. 1-Hydroxy-10-methylacridone is an alkaloid from the roots of Ruta graveolens (rue). Also isolated from the callus cultures obtained from the meristematic cells of Ruta graveolens. 1-Hydroxy-10-methylacridone is a member of acridines. It is functionally related to an acridone. 1-Hydroxy-10-methylacridone is a natural product found in Boronia lanceolata, Ruta graveolens, and other organisms with data available. Alkaloid from the roots of Ruta graveolens (rue)and is also isolated from the callus cultures obtained from the meristematic cells of Ruta graveolens. 1-Hydroxy-10-methylacridone is found in herbs and spices.
2-Hydroxy-4,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one
2-Hydroxy-4,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one is found in cereals and cereal products. 2-Hydroxy-4,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one is isolated from sweet corn (Zea mays). Isolated from sweet corn (Zea mays). (R)-2-Hydroxy-4,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one is found in cereals and cereal products and fats and oils.
Mukolidine
Mukolidine is found in herbs and spices. Minor alkaloid from roots of Murraya koenigii (curryleaf tree). Minor alkaloid from roots of Murraya koenigii (curryleaf tree). Mukolidine is found in herbs and spices.
Vanilloylglycine
Vanilloylglycine (CAS# 1212-04-0), also known as N-Vanilloylglycine, is a non-phenolic metabolite. In human studies, Vanilloylglycine has been detected in urines of individuals consuming cocoa powder dissolved in milk. (Pheno-Explorer) A polyphenol metabolite detected in biological fluids [PhenolExplorer]
6-Methoxy-9H-carbazole-3-carboxaldehyde
6-Methoxy-9H-carbazole-3-carboxaldehyde is found in fruits. 6-Methoxy-9H-carbazole-3-carboxaldehyde is an alkaloid from the roots of Clausena lansium (wampee). Alkaloid from the roots of Clausena lansium (wampee). 6-Methoxy-9H-carbazole-3-carboxaldehyde is found in fruits.
Methyl 3-carbazolecarboxylate
Methyl 3-carbazolecarboxylate is found in fruits. Methyl 3-carbazolecarboxylate is an alkaloid from the roots of Clausena lansium (wampee
(+)-2-Amino-7-phosphonoheptanoic acid
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
2,2'-Anhydrocytidine
2-Methyl-6-phenyl-3,7-dihydroimidazo[1,2-a]pyrazin-3-one
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents
6-Acryloyl-2-dimethylaminonaphthalene
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
6-Aminomethyl-3-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide
3-Aminopropyl(diethoxymethyl)phosphinic acid
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists CGP 35348?is a selective, brain penetrant, centrally active GABAB receptor antagonist with an EC50 of 34 μM.?CGP 35348 shows affinity for the GABAB receptor only[1]. CGP 35348 has a potential to improve neuromuscular coordination and spatial learning in albino mouse following neonatal brain damage[2].
Imidazo(1,2-a)pyrazin-3(7H)-one, 2-methyl-7-phenyl-
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents
N-Methyl-beta-carboline-3-carboxamide
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists D019440 - Anti-Obesity Agents > D001067 - Appetite Depressants FG 7142 (ZK 39106; LSU-65), a non-selectively benzodiazepine inverse agonist, has high affinity for the α1 subunit-containing GABAA receptor (Ki=91 nM). FG 7142 (ZK 39106; LSU-65) also modulates GABA-induced chloride flux at GABAA receptors expressing the α1 subunit (EC50= 137 nM). FG 7142 (ZK 39106; LSU-65) can increase tyrosine hydroxylation and cause upregulation of?β-adrenoceptors in mouse cerebral cortex[1].
Galegine
Galegine is a member of the class of compounds known as organic sulfuric acids. Organic sulfuric acids are organic compounds containing the sulfuric acid functional group, with the generic structure HOS(=O)(=O)OH. Galegine is a bitter tasting compound found in tea, which makes galegine a potential biomarker for the consumption of this food product. Galegine is the compound with the formula HNC(NH2)2. It is a colourless solid that dissolves in polar solvents. It is a strong base that is used in the production of plastics and explosives. It is found in urine as a normal product of protein metabolism. Galegine is the functional group on the side chain of arginine .
Drometrizole
Drometrizole. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=2440-22-4 (retrieved 2024-09-27) (CAS RN: 2440-22-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
METHIOCARB
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D008975 - Molluscacides D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 2937
1,3-dimethyl-6-morpholino-2,4(1H,3H)-pyrimidinedione
1-(4-chlorophenyl)-2-(isopropylamino)-propan-1-one
Flufenacet OXA
CONFIDENCE standard compound; EAWAG_UCHEM_ID 664 CONFIDENCE standard compound; INTERNAL_ID 2055
8-methyl-5H-[1,3]dioxolo[4,5-b]carbazole|clausenalene
2,5-Dioxo-3-isopropyl-1H-pyrrole-1-propanoic acid methyl ester
5H-Indeno[1,2-b]pyridin-5-one, 8-methoxy-4-methyl-
Acetic acid [2-methyl-3-hydroxy-4-(methoxymethyl)pyridine-5-yl]methyl ester
Cyclocytidine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.050 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.049 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.048
(2R)-3-hydroxy-2-[(2-hydroxybenzoyl)amino]propanoic acid
Propotox
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
acyclovir
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AB - Nucleosides and nucleotides excl. reverse transcriptase inhibitors D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BB - Antivirals S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AD - Antivirals D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent CONFIDENCE standard compound; INTERNAL_ID 2780 Acyclovir (Aciclovir) is a potent, orally active antiviral agent. Acyclovir has antiherpetic activity with IC50 values of 0.85 μM and 0.86 μM for HSV-1 and HSV-2, respectively. Acyclovir induces cell cycle perturbation and apoptosis. Acyclovir prevents bacterial infections during induction therapy for acute leukaemia[1][2][3][4].
N-Methyl-2,2-diphenylacetamide
CONFIDENCE standard compound; INTERNAL_ID 1115; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8347; ORIGINAL_PRECURSOR_SCAN_NO 8345 CONFIDENCE standard compound; INTERNAL_ID 1115; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8352; ORIGINAL_PRECURSOR_SCAN_NO 8350 CONFIDENCE standard compound; INTERNAL_ID 1115; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8357; ORIGINAL_PRECURSOR_SCAN_NO 8353 CONFIDENCE standard compound; INTERNAL_ID 1115; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8389; ORIGINAL_PRECURSOR_SCAN_NO 8388 CONFIDENCE standard compound; INTERNAL_ID 1115; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8406; ORIGINAL_PRECURSOR_SCAN_NO 8404 CONFIDENCE standard compound; INTERNAL_ID 1115; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8401; ORIGINAL_PRECURSOR_SCAN_NO 8400
Benzyladenine
D006133 - Growth Substances > D010937 - Plant Growth Regulators 6-Benzylaminopurine (Benzyladenine) is the first cytokinin that causes plant growth and development by stimulating cell division and inhibiting respiratory kinases, thereby prolonging the preservation of green vegetables[1]. 6-Benzylaminopurine is the first cytokinin that causes plant growth and development by stimulating cell division and inhibiting respiratory kinases, thereby prolonging the preservation of green vegetables.
ancitabine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents
1-O-tert-butyl 3-O-methyl pyrrole-1,3-dicarboxylate
ETHYL 2-AMINO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE
4-AMINO-6-FLUORO-2-METHYLCHROMAN-4-CARBOXYLIC ACID
7,9-Dimethyl-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one hydrochloride
2-CarboxyMethyl-1,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
3-cyclopropyl-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione
ETHYL 2-((ETHOXYCARBONYL)METHYL)-1H-PYRROLE-3-CARBOXYLATE
4-(2-Chloro-5-(trifluoromethyl)phenyl)benzaldehyde
Ethyl 5-acetyl-7-oxo-5-azaspiro[2.4]heptane-6-carboxylate
3-(1,1-dimethylethyl)dihydro-1,5-dioxo-(3R,7aR)-1H,3H-Pyrrolo[1,2-c]oxazole-7a(5H)-carboxaldehyde
(R)-N-(2-AMINO-4,5,6,7-TETRAHYDROBENZO[D]THIAZOL-6-YL)PROPIONAMIDE
1H-Inden-1-one, 2,3,3a,6,7,7a-hexahydro-3a-hydroxy-7a-methyl-5-(nitromethyl)-, (3aS,7aS)- (9CI)
5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7(4h)-one
2-[(Dimethylamino)methylene]amino-6-methyl-5-nitro-4-pyrimidinol
3-AMINO-3-(3-METHOXYMETHOXY-PHENYL)-PROPIONIC ACID
3-AMINO-3-(3-ETHOXY-4-HYDROXY-PHENYL)-PROPIONIC ACID
1-(2-Furylcarbonyl)-4-hydroxy-2-pyrrolidinecarboxylic acid
1H-Pyrrole-2,4-dicarboxylicacid, 5-formyl-3-methyl-, 4-ethyl ester
tert-butyl 2-(1,3-thiazol-4-ylmethyl)prop-2-enoate
5,6,7,8-TETRAHYDRO-4H-THIENO[2,3-D]AZEPINE-2-CARBOXYLIC ACID, ETHYL ESTER
(2-Fluoro-5-(isopropylcarbamoyl)phenyl)boronic acid
(3-FLUORO-4-(ISOPROPYLCARBAMOYL)PHENYL)BORONIC ACID
N-(2-AMINO-4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-6-YL)-PROPIONAMIDE
O-tert-Butyl-L-threonine methyl ester hydrochloride
3-Chloro-4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyridine
1-(2,4-Difluorophenyl)-1-(4-piperidinyl) methanone
TERT-BUTYL (4-HYDROXYPYRIMIDIN-2-YL)METHYLCARBAMATE
ethyl 6-fluoro-3,4-dihydro-2h-1,4-benzoxazine-2-carboxylate
1,1,1-Tris(aminomethyl)ethane trihydrochloride,Ethylidintris(methylamine) trihydrochloride
1-cyclopropyl-2,4-dioxopiperidine-3-carboxylic acid ethyl ester
4-(5-amino-1,3-dihydrobenzimidazol-2-ylidene)cyclohexa-2,5-dien-1-one
2-(3-(CHLOROMETHYL)PIPERIDIN-1-YL)-6-METHYLPYRAZINE
(4-Fluoro-3-(isopropylcarbamoyl)phenyl)boronic acid
(S)-1-(1H-BENZIMIDAZOL-2-YL)-2-METHYLPROPYLAMINE HYDROCHLORIDE
3,3,3-trifluoro-2-(piperidin-2-ylmethyl)propanoic acid
(4-CHLORO-BENZYL)-(TETRAHYDRO-FURAN-2-YLMETHYL)-AMINE
3-(4-CHLORO-2-AMINOPHENYL)ACRYLIC ACID ETHYL ESTER
4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)-2-PYRIMIDINAMINE
2-(4-aminophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one monohydrochloride
N-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine hydrochloride
(3,4-DICHLORO-PHENYL)-(4,5-DIHYDRO-THIAZOL-2-YL)-AMINE
(2-CHLORO-BENZYL)-(TETRAHYDRO-FURAN-2-YLMETHYL)-AMINE
2-Acetoxymethyl-5-hydroxymethyl-4-methoxy-3-methylpyridine
Benzothiazole, 6-methyl-2-phenyl- (6CI,7CI,8CI,9CI)
3H-Spiro[isobenzofuran-1,4-piperidine] hydrochloride
1H-2-Benzothiopyran-4-amine,6-ethyl-3,4-dihydro-,2,2-dioxide,(4R)-(9CI)
methyl 3-amino-4-cyano-5-(dimethylamino)thiophene-2-carboxylate
1-[(6-chloropyridin-3-yl)methyl]-4-methylpiperazine
N-(1,3-Dioxo-2,8-diazaspiro[4.5]dec-2-yl)acetamide
Methyl 8-hydroxy-2-oxo-1-azaspiro[4.5]dec-7-ene-7-carboxylate
N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine,hydrochloride
(3S,4R)-4-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
(3S,4R)-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid
4-[2-(Methoxycarbonyl)hydrazino]-3-pyridinecarboxylic acid methyl ester
(R)-3-Amino-3-(3,5-dimethoxy-phenyl)-propionic acid
5-Ethoxy-4-fluoro-3-nitro-1H-pyrrolo[2,3-b]pyridine
6-chloro-N-(2-cyclopropylethyl)pyridazine-3-carboxamide
5-(1-piperidylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
1-(3-Benzyl-1,2,4-oxadiazol-5-yl)methanamine hydrochloride (1:1)
4-Fluoro-5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-amine
N-(3-Chloro-2-methylphenyl)-2,2-dimethylpropanamide
(S)-2-Amino-3-(3,4-Dimethoxy-Phenyl)-Propionic Acid
1-[(4-Hydrazinophenyl)methyl]-1H-1,2,4-triazole hydrochloride
TERT-BUTYL (5-(HYDROXYMETHYL)PYRAZIN-2-YL)CARBAMATE
(6S)-2-Amino-6-propionamidotetrahydrobenzothiazole
3-(Carboxymethylaminomethyl)-4-hydroxybenzoic acid
4-(2-Carboxy-Ethyl)-2-Methyl-1H-Pyrrole-3-Carboxylic Acid Ethyl Ester
BENZYL-(1,1-DIOXO-TETRAHYDRO-1-THIOPHEN-3-YL)-AMINE
2-[N-methyl-4-(methylamino)-3-nitroanilino]ethanol
2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
ethyl 3-(chlorosulfanyl-propan-2-yl-amino)propanoate
(S)-3-Amino-3-(2,3-dimethoxy-phenyl)-propionic acid
1H-Pyrazolo[3,4-d]pyrimidin-4-amine,N-(phenylmethyl)-
2-Amino-6-(propylamino)-5,6-dihydrobenzo[d]thiazol-7(4H)-one
4-methylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
tert-butyl N-[1-(trifluoromethyl)cyclopropyl]carbamate
N1-(1,1-DIOXO-1H-1LAMBDA6-BENZO[D]ISOTHIAZOL-3-YL)-ETHANE-1,2-DIAMINE
3-methyl-5-morpholin-4-ylmethyl-furan-2-carboxylic acid
[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamine hydrochloride
(R)-1-(1H-BENZIMIDAZOL-2-YL)-2-METHYLPROPYLAMINE HYDROCHLORIDE
3-Methyl-1H-pyrrole-2,5-dicarboxylic acid diethyl ester
Ingavirin
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent C26170 - Protective Agent
N-(4-oxo-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide
3-hydroxy-O,5-dimethyl-L-tyrosine
An L-tyrosine derivative that is O-methyl-L-tyrosine carrying additional hydroxy and methyl substituents at positions 3 and 5 respectively.
N-(5-methyl-1,2-oxazol-3-yl)-2-(morpholin-4-yl)acetamide
[(2S)-6-methyl-3,4-dihydro-2H-chromen-2-yl]methylphosphinate
(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate
Porphobilinogen(1-)
Conjugate base of porphobilinogen arising from deprotonation of the two carboxy groups and protonation of the amino group; major species at pH 7.3. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
12-Hydroxyjasmonate
A 5-oxo monocarboxylic acid anion that is the conjugate base of 12-hydroxyjasmonic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
5,10-Dihydrophenazine-1-carboxylate
A monocarboxylic acid anion that is the conjugate base of 5,10-dihydrophenazine-1-carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Tuberonate
A 5-oxo monocarboxylic acid anion that is the conjugate base of tuberonic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
{2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetate
1-(3-Amino-3-carboxypropyl)pyridin-1-ium-3-carboxylic acid
4-Methyl-3-phenyl-1,2-dihydropyrazolo[3,4-b]pyridin-6-one
(E)-3-(3-hydroxyphenyl)-1-pyridin-3-ylprop-2-en-1-one
Carnosinate
An N-acyl-L-alpha-amino acid anion that is the conjugate base of carnosine, obtained by deprotonation of the carboxy group.
2-(2-hydroxyethylthio)-N-(2-methylphenyl)acetamide
6-Propan-2-yl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
(2R,3R,3aS)-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydrofuro[1,2]oxazolo[3,4-a]pyrimidin-3-ol
2-Hydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one
N-prop-2-enyl-5H-pyrimido[5,4-b]indol-3-ium-4-amine
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol
(5S,6S)-6-amino-5-[(1-carboxyethenyl)oxy]cyclohexa-1,3-diene-1-carboxylic acid
alpha-[3-[(Hydroxymethyl)nitrosoamino]propyl]-3-pyridinemethanol
4-Amino-4-deoxychorismate
A dicarboxylic acid comprising chorismic acid having its 4-hydroxy group replaced by an amino group.
FG 7142
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists D019440 - Anti-Obesity Agents > D001067 - Appetite Depressants FG 7142 (ZK 39106; LSU-65), a non-selectively benzodiazepine inverse agonist, has high affinity for the α1 subunit-containing GABAA receptor (Ki=91 nM). FG 7142 (ZK 39106; LSU-65) also modulates GABA-induced chloride flux at GABAA receptors expressing the α1 subunit (EC50= 137 nM). FG 7142 (ZK 39106; LSU-65) can increase tyrosine hydroxylation and cause upregulation of?β-adrenoceptors in mouse cerebral cortex[1].
2-Hydroxy-4,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one
4-Nitrostilbene
A stilbenoid with a structure of (E)-stilbene substituted at one of the C-4 positions by a nitro group.
3-deoxy-3,4-didehydro-cytidine
A pyrimidine 3-deoxyribonucleoside that is cytidine in which the hydroxy group at position 3 is replaced by a hydrogen and a double bond is introduced between positions 3 and 4. It is a metabolite of 3-deoxy-3,4-didehydro-CTP.
N-(2,6-diethylphenyl)-2-chloroacetamide
An aromatic amide obtained by formal condensation of the carboxy group of chloroacetic acid with the amnio group of 2,6-diethylaniline.
3-hydroxy-O,5-dimethyl-L-tyrosine zwitterion
An amino acid zwitterion resulting from a transfer of a proton from the carboxy to the amino group of 5-hydroxy-3-methyl-O-methyl-L-tyrosine; major species at pH 7.3.
N-Benzyladenine
A member of the class of 6-aminopurines that is adenine in which one of the hydrogens of the amino group is replaced by a benzyl group.
4-[2-formyl-5-(methoxymethyl)pyrrol-1-yl]butanoic acid
4-[(1-Carboxy-2-methylbutyl)amino]-2(1H)-pyrimidinone
{"Ingredient_id": "HBIN009839","Ingredient_name": "4-[(1-Carboxy-2-methylbutyl)amino]-2(1H)-pyrimidinone","Alias": "NA","Ingredient_formula": "C10H15N3O3","Ingredient_Smile": "CCC(C)C(C(=O)O)NC1=CC=NC(=O)N1","Ingredient_weight": "225.24 g/mol","OB_score": "27.96340161","CAS_id": "NA","SymMap_id": "SMIT03963","TCMID_id": "NA","TCMSP_id": "MOL001571","TCM_ID_id": "NA","PubChem_id": "591989","DrugBank_id": "NA"}
6-benzylaminopurine
{"Ingredient_id": "HBIN012236","Ingredient_name": "6-benzylaminopurine","Alias": "6-benzylaminopurine","Ingredient_formula": "C12H11N5","Ingredient_Smile": "C1=CC=C(C=C1)CC2=C3C(=NC(=N2)N)N=CN3","Ingredient_weight": "225.25 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "13877;13878","PubChem_id": "53445306","DrugBank_id": "NA"}