Exact Mass: 163.03573

Exact Mass Matches: 163.03573

Found 289 metabolites which its exact mass value is equals to given mass value 163.03573, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

N-Acetyl-D-cysteine

2-[(1-Hydroxyethylidene)amino]-3-sulphanylpropanoic acid

C5H9NO3S (163.03031239999999)


R - Respiratory system > R05 - Cough and cold preparations > R05C - Expectorants, excl. combinations with cough suppressants > R05CB - Mucolytics V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AB - Antidotes COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78273 - Agent Affecting Respiratory System > C74536 - Mucolytic Agent D019141 - Respiratory System Agents > D005100 - Expectorants D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants C26170 - Protective Agent > C275 - Antioxidant S - Sensory organs > S01 - Ophthalmologicals Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Acetylcysteine (N-Acetylcysteine) is a mucolytic agent which reduces the thickness of the mucus. Acetylcysteine is a ROS inhibitor[1]. Acetylcysteine is a cysteine precursor, prevents hemin-induced ferroptosis by neutralizing toxic lipids generated by arachidonate-dependent activity of 5-lipoxygenases[5]. Acetylcysteine induces cell apoptosis[2][3]. Acetylcysteine also has anti-influenza virus activities[7]. Acetylcysteine (N-Acetylcysteine) is a mucolytic agent which reduces the thickness of the mucus. Acetylcysteine is a ROS inhibitor[1]. Acetylcysteine is a cysteine precursor, prevents hemin-induced ferroptosis by neutralizing toxic lipids generated by arachidonate-dependent activity of 5-lipoxygenases[5]. Acetylcysteine induces cell apoptosis[2][3]. Acetylcysteine also has anti-influenza virus activities[7].

   

tiopronin

2-[(1-hydroxy-2-sulfanylpropylidene)amino]acetic acid

C5H9NO3S (163.03031239999999)


Same as: D01430 Tiopronin is a diffusible antioxidant, an antidote to heavy metal poisoning and a radioprotective agent. Tiopronin can control the rate of cystine precipitation and excretion and has the potential for cystinuria, rheumatoid arthritis and hepatic disorders[1][2].

   

tiopronin

tiopronin

C5H9NO3S (163.03031239999999)


G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals C78275 - Agent Affecting Blood or Body Fluid Same as: D01430 Tiopronin is a diffusible antioxidant, an antidote to heavy metal poisoning and a radioprotective agent. Tiopronin can control the rate of cystine precipitation and excretion and has the potential for cystinuria, rheumatoid arthritis and hepatic disorders[1][2].

   

Acetylcysteine

Bristol myers squibb brand OF acetylcysteine sodium salt

C5H9NO3S (163.03031239999999)


N-Acetyl-L-cysteine (NAC) or N-Acetylcysteine is the N-acetyl derivative of the amino acid L-cysteine and is a precursor in the formation of the antioxidant glutathione in the body. N-Acetylcysteine, belongs to the class of organic compounds known as N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. N-Acetyl-L-cysteine can also be classified as an alpha amino acid or a derivatized alpha amino acid. Technically, N-Acetyl-L-cysteine is a biologically available N-terminal capped form of the proteinogenic alpha amino acid L-cysteine. N-acetyl amino acids can be produced either via direct synthesis of specific N-acetyltransferases or via the proteolytic degradation of N-acetylated proteins by specific hydrolases. N-terminal acetylation of proteins is a widespread and highly conserved process in eukaryotes that is involved in protection and stability of proteins (PMID: 16465618). About 85\\\\% of all human proteins and 68\\\\% of all yeast proteins are acetylated at their N-terminus (PMID: 21750686). Several proteins from prokaryotes and archaea are also modified by N-terminal acetylation. The majority of eukaryotic N-terminal-acetylation reactions occur through N-acetyltransferase enzymes or NAT’s (PMID: 30054468). These enzymes consist of three main oligomeric complexes NatA, NatB, and NatC, which are composed of at least a unique catalytic subunit and one unique ribosomal anchor. The substrate specificities of different NAT enzymes are mainly determined by the identities of the first two N-terminal residues of the target protein. The human NatA complex co-translationally acetylates N-termini that bear a small amino acid (A, S, T, C, and occasionally V and G) (PMID: 30054468). NatA also exists in a monomeric state and can post-translationally acetylate acidic N-termini residues (D-, E-). NatB and NatC acetylate N-terminal methionine with further specificity determined by the identity of the second amino acid. . N-acetylated amino acids, such as N-acetylcysteine can be released by an N-acylpeptide hydrolase from peptides generated by proteolytic degradation (PMID: 16465618). In addition to the NAT enzymes and protein-based acetylation, N-acetylation of free cysteine can also occur. The enzyme known as cysteine-S-conjugate N-acetyltransferase (EC 2.3.1.80) catalyzes the transfer of the acetyl group of acetyl CoA to the amino group of cysteine. This enzyme is an important participant in glutathione metabolism and the production of glutathione. The thiol (sulfhydryl) group in N-Acetylcysteine confers antioxidant effects and is able to reduce free radicals. N-Acetylcysteine is a pharmacological agent used in the management of paracetamol (acetaminophen) overdoses. When acetaminophen is taken in large quantities, a minor metabolite called N-acetyl-p-benzoquinone imine (NAPQI) accumulates within the body. NAPQI is normally conjugated by glutathione, but when taken in excess, the bodys glutathione reserves are not sufficient to deactivate the toxic NAPQI. In the treatment of acetaminophen overdose, N-acetylcysteine acts to maintain or replenish depleted glutathione reserves in the liver and enhance non-toxic metabolism of acetaminophen. These actions serve to protect liver cells from NAPQI toxicity. For this particular indication, N-acetylcysteine is available under the trade names Mucomyst (Bristol-Myers Squibb) and Parvolex (GSK). N-Acetylcysteine is also used as a mucolytic agent to reduce the viscosity of mucous secretions. It has also been shown to have antiviral effects in patients with HIV due to inhibition of viral stimulation by reactive oxygen intermediates. Acetylcysteine has been studied for a number of psychiatric disorders. There is tentative evidence for N-acetylcysteine being useful in the treatment of Alzheimers disease, autism, bipolar disorder, drug-induced neuropathy, major depressive disorder, obsessive-compulsive disord... R - Respiratory system > R05 - Cough and cold preparations > R05C - Expectorants, excl. combinations with cough suppressants > R05CB - Mucolytics V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AB - Antidotes COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78273 - Agent Affecting Respiratory System > C74536 - Mucolytic Agent D019141 - Respiratory System Agents > D005100 - Expectorants D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000975 - Antioxidants > D016166 - Free Radical Scavengers Effective inhibitor of enzymic browning in foods [DFC] D020011 - Protective Agents > D000975 - Antioxidants C26170 - Protective Agent > C275 - Antioxidant S - Sensory organs > S01 - Ophthalmologicals Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Acetylcysteine (N-Acetylcysteine) is a mucolytic agent which reduces the thickness of the mucus. Acetylcysteine is a ROS inhibitor[1]. Acetylcysteine is a cysteine precursor, prevents hemin-induced ferroptosis by neutralizing toxic lipids generated by arachidonate-dependent activity of 5-lipoxygenases[5]. Acetylcysteine induces cell apoptosis[2][3]. Acetylcysteine also has anti-influenza virus activities[7]. Acetylcysteine (N-Acetylcysteine) is a mucolytic agent which reduces the thickness of the mucus. Acetylcysteine is a ROS inhibitor[1]. Acetylcysteine is a cysteine precursor, prevents hemin-induced ferroptosis by neutralizing toxic lipids generated by arachidonate-dependent activity of 5-lipoxygenases[5]. Acetylcysteine induces cell apoptosis[2][3]. Acetylcysteine also has anti-influenza virus activities[7].

   

1-Isothiocyanato-2-phenylethane

(2-Isothiocyanatoethyl)benzene, 9ci

C9H9NS (163.0455674)


1-Isothiocyanato-2-phenylethane, also known as 2-phenylethyl isothiocyanate (PEITC) or (2-isothiocyanatoethyl) benzene is an isothiocyanate having a phenethyl group attached to the nitrogen. It is a naturally occurring compound found in some cruciferous vegetables (e.g. watercress) and is known to possess anticancer properties. It has a role as an antineoplastic agent, a metabolite and an EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor. It belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. PEITC is found in high concentrations in kohlrabis. In terms of biosynthesis, PEITC is produced from gluconasturtiin by the action of the enzyme myrosinase. PEITC has been used in trials studying the prevention and treatment of leukemia, lung cancer, tobacco use disorder, and lymphoproliferative disorders. Phenethyl isothiocyanate, also known as peitc or beta-phenylethyl isothiocyanic acid, belongs to benzene and substituted derivatives class of compounds. Those are aromatic compounds containing one monocyclic ring system consisting of benzene. Phenethyl isothiocyanate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Phenethyl isothiocyanate is a bitter, gooseberry, and green tasting compound and can be found in a number of food items such as herbs and spices, brassicas, horseradish, and cabbage, which makes phenethyl isothiocyanate a potential biomarker for the consumption of these food products. Phenethyl isothiocyanate (PEITC) is a naturally occurring isothiocyanate whose precursor, gluconasturtiin is found in some cruciferous vegetables, especially watercress . C1892 - Chemopreventive Agent > C54630 - Phase II Enzymes Inducer D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D009676 - Noxae > D002273 - Carcinogens D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors 2-Phenylethyl isothiocyanate is a potent antifungal agent. 2-Phenylethyl isothiocyanate significantly inhibited spore germination and mycelial growth of Alternaria alternata, with a MIC (minimum inhibitory concentration) of 1.22 mM. The antifungal effect of 2-Phenylethyl isothiocyanate against Alternaria alternata might be via reduction in toxin content and breakdown of cell membrane integrity[1][2].

   

2-Ethylbenzothiazole

2-ethyl-1,3-benzothiazole

C9H9NS (163.0455674)


Claimed food uses not well documented. Claimed food uses not well documented

   

2-Ethylphenyl isothiocyanate

2-Ethylphenyl isothiocyanic acid

C9H9NS (163.0455674)


   

3-Fluoro-2-hydroxyquinoline

3-fluoro-1,2-dihydroquinolin-2-one

C9H6FNO (163.04333979999998)


   

7-Nitroindazole

7-nitro-2H-indazole

C7H5N3O2 (163.03817500000002)


D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002491 - Central Nervous System Agents > D000700 - Analgesics D020011 - Protective Agents D004791 - Enzyme Inhibitors

   

Mercaptopropionylglycine

2-[(1-Hydroxy-3-sulphanylpropylidene)amino]acetic acid

C5H9NO3S (163.03031239999999)


   

Diethyl cyanophosphonate

Diethyl cyanophosphonic acid

C5H10NO3P (163.039828)


   

Fluroquinolone

1-fluoro-1,2-dihydroquinolin-2-one

C9H6FNO (163.04333979999998)


   

2-oxo-3-phenylpropanoate

Phenylpyruvic acid, calcium salt

C9H7O3 (163.0395172)


2-oxo-3-phenylpropanoate, also known as 3-phenylpyruvate or 3-(4-hydroxyphenyl)pyruvate, belongs to phenylpyruvic acid derivatives class of compounds. Those are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid. 2-oxo-3-phenylpropanoate is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 2-oxo-3-phenylpropanoate can be found in a number of food items such as saskatoon berry, deerberry, green zucchini, and breadnut tree seed, which makes 2-oxo-3-phenylpropanoate a potential biomarker for the consumption of these food products.

   

coumarinate

2-(2-carboxyeth-1-en-1-yl)benzen-1-olate

C9H7O3 (163.0395172)


Coumarinate, also known as 3-(2-hydroxyphenyl)acrylate or coumarinic acid, is a member of the class of compounds known as coumaric acids. Coumaric acids are aromatic compounds containing a cinnamic acid moiety hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Coumarinate is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Coumarinate can be found in a number of food items such as cardoon, sorrel, pigeon pea, and swede, which makes coumarinate a potential biomarker for the consumption of these food products.

   

2-Amino-5-chloro-5-hexenoic acid

2-Amino-5-chloro-5-hexenoic acid

C6H10ClNO2 (163.040003)


   

Benzotriazole-5-carboxylic acid

1H-Benzo[d][1,2,3]triazole-6-carboxylic acid

C7H5N3O2 (163.03817500000002)


CONFIDENCE Reference Standard (Level 1); Source; 5COOHBT_MSMS.txt CONFIDENCE standard compound; EAWAG_UCHEM_ID 3184

   

7-nitroindazole

7-nitroindazole

C7H5N3O2 (163.03817500000002)


D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002491 - Central Nervous System Agents > D000700 - Analgesics D020011 - Protective Agents D004791 - Enzyme Inhibitors

   

2H-benzotriazole-4-carboxylic acid

2H-benzotriazole-4-carboxylic acid

C7H5N3O2 (163.03817500000002)


   

7-Carbamoyl-hept-2t-en-4,6-diinsaeure|7-carbamoyl-hept-2t-ene-4,6-diynoic acid|Hexen-1trans-diin-3,5-dicarbonsaeure-1,6-monoamid-6

7-Carbamoyl-hept-2t-en-4,6-diinsaeure|7-carbamoyl-hept-2t-ene-4,6-diynoic acid|Hexen-1trans-diin-3,5-dicarbonsaeure-1,6-monoamid-6

C8H5NO3 (163.02694200000002)


   

Thieno[3,2-b]pyridine, 2,5-dimethyl-

Thieno[3,2-b]pyridine, 2,5-dimethyl-

C9H9NS (163.0455674)


   

2-Amino-5-chloro-4-hexenoic acid

2-Amino-5-chloro-4-hexenoic acid

C6H10ClNO2 (163.040003)


   

1-oxo-1,4-thiazinane-3-carboxylic acid

1-oxo-1,4-thiazinane-3-carboxylic acid

C5H9NO3S (163.03031239999999)


   

guvacine

1,2,5,6-tetrahydro-3-pyridinecarboxylic acid, hydrochloride salt

C6H10ClNO2 (163.040003)


Guvacine hydrochloride is an alkaloid from the nut of Areca catechu, acts as an inhibitor of GABA transporter, and dispalys modest selectivity for cloned GABA transporters with IC50s of 14 μM (human GAT-1), 39 μM (rat GAT-1), 58 μM (rat GAT-2), 119 μM (human GAT-3), 378 μM (rat GAT-3), and 1870 μM (human BGT-3). Guvacine hydrochloride is an alkaloid from the nut of Areca catechu, acts as an inhibitor of GABA transporter, and dispalys modest selectivity for cloned GABA transporters with IC50s of 14 μM (human GAT-1), 39 μM (rat GAT-1), 58 μM (rat GAT-2), 119 μM (human GAT-3), 378 μM (rat GAT-3), and 1870 μM (human BGT-3). Guvacine hydrochloride is an alkaloid from the nut of Areca catechu, acts as an inhibitor of GABA transporter, and dispalys modest selectivity for cloned GABA transporters with IC50s of 14 μM (human GAT-1), 39 μM (rat GAT-1), 58 μM (rat GAT-2), 119 μM (human GAT-3), 378 μM (rat GAT-3), and 1870 μM (human BGT-3).

   

1H-Benzotriazole-4-carboxylic acid (Tentative)

1H-Benzotriazole-4-carboxylic acid (Tentative)

C7H5N3O2 (163.03817500000002)


CONFIDENCE Tentative identification: most likely structure (Level 3); Source; 164m0445a_MSMS.txt; Structure/data is 1H-Benzotriazole-4-carboxylic acid; other isomers possible (but less likely)

   
   

Acetylcysteine

N-Acetyl-L-cysteine

C5H9NO3S (163.03031239999999)


R - Respiratory system > R05 - Cough and cold preparations > R05C - Expectorants, excl. combinations with cough suppressants > R05CB - Mucolytics V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AB - Antidotes An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine. COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78273 - Agent Affecting Respiratory System > C74536 - Mucolytic Agent D019141 - Respiratory System Agents > D005100 - Expectorants D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants C26170 - Protective Agent > C275 - Antioxidant S - Sensory organs > S01 - Ophthalmologicals Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Acetylcysteine (N-Acetylcysteine) is a mucolytic agent which reduces the thickness of the mucus. Acetylcysteine is a ROS inhibitor[1]. Acetylcysteine is a cysteine precursor, prevents hemin-induced ferroptosis by neutralizing toxic lipids generated by arachidonate-dependent activity of 5-lipoxygenases[5]. Acetylcysteine induces cell apoptosis[2][3]. Acetylcysteine also has anti-influenza virus activities[7]. Acetylcysteine (N-Acetylcysteine) is a mucolytic agent which reduces the thickness of the mucus. Acetylcysteine is a ROS inhibitor[1]. Acetylcysteine is a cysteine precursor, prevents hemin-induced ferroptosis by neutralizing toxic lipids generated by arachidonate-dependent activity of 5-lipoxygenases[5]. Acetylcysteine induces cell apoptosis[2][3]. Acetylcysteine also has anti-influenza virus activities[7].

   
   

6-Nitrobenzimidazole

6-Nitrobenzimidazole

C7H5N3O2 (163.03817500000002)


CONFIDENCE standard compound; INTERNAL_ID 922; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2507; ORIGINAL_PRECURSOR_SCAN_NO 2504 CONFIDENCE standard compound; INTERNAL_ID 922; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2506; ORIGINAL_PRECURSOR_SCAN_NO 2503 CONFIDENCE standard compound; INTERNAL_ID 922; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2489; ORIGINAL_PRECURSOR_SCAN_NO 2487 CONFIDENCE standard compound; INTERNAL_ID 922; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2500; ORIGINAL_PRECURSOR_SCAN_NO 2498 CONFIDENCE standard compound; INTERNAL_ID 922; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2513; ORIGINAL_PRECURSOR_SCAN_NO 2511 CONFIDENCE standard compound; INTERNAL_ID 922; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2508; ORIGINAL_PRECURSOR_SCAN_NO 2506 CONFIDENCE standard compound; INTERNAL_ID 922; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5257; ORIGINAL_PRECURSOR_SCAN_NO 5254 CONFIDENCE standard compound; INTERNAL_ID 922; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5265; ORIGINAL_PRECURSOR_SCAN_NO 5264 CONFIDENCE standard compound; INTERNAL_ID 922; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5279; ORIGINAL_PRECURSOR_SCAN_NO 5277 CONFIDENCE standard compound; INTERNAL_ID 922; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5306; ORIGINAL_PRECURSOR_SCAN_NO 5304 CONFIDENCE standard compound; INTERNAL_ID 922; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5306; ORIGINAL_PRECURSOR_SCAN_NO 5301 CONFIDENCE standard compound; INTERNAL_ID 922; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5299; ORIGINAL_PRECURSOR_SCAN_NO 5298

   

2-Chloro-N,N-dimethyl-3-oxobutanamide

Butanamide,2-chloro-N,N-dimethyl-3-oxo-

C6H10ClNO2 (163.040003)


CONFIDENCE standard compound; INTERNAL_ID 966; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4363; ORIGINAL_PRECURSOR_SCAN_NO 4359 CONFIDENCE standard compound; INTERNAL_ID 966; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4374; ORIGINAL_PRECURSOR_SCAN_NO 4371 CONFIDENCE standard compound; INTERNAL_ID 966; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4391; ORIGINAL_PRECURSOR_SCAN_NO 4387 CONFIDENCE standard compound; INTERNAL_ID 966; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4392; ORIGINAL_PRECURSOR_SCAN_NO 4387 CONFIDENCE standard compound; INTERNAL_ID 966; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4410; ORIGINAL_PRECURSOR_SCAN_NO 4406 CONFIDENCE standard compound; INTERNAL_ID 966; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4401; ORIGINAL_PRECURSOR_SCAN_NO 4398

   

Isatoic anhydride

2H-3,1-Benzoxazine-2,4(1H)-dione

C8H5NO3 (163.02694200000002)


CONFIDENCE standard compound; INTERNAL_ID 1142; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3042; ORIGINAL_PRECURSOR_SCAN_NO 3041 D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D065093 - beta-Lactamase Inhibitors D004791 - Enzyme Inhibitors ORIGINAL_PRECURSOR_SCAN_NO 3022; CONFIDENCE standard compound; INTERNAL_ID 1142; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3023 CONFIDENCE standard compound; INTERNAL_ID 1142; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3023; ORIGINAL_PRECURSOR_SCAN_NO 3022 CONFIDENCE standard compound; INTERNAL_ID 1142; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2968; ORIGINAL_PRECURSOR_SCAN_NO 2966 CONFIDENCE standard compound; INTERNAL_ID 1142; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3033; ORIGINAL_PRECURSOR_SCAN_NO 3032 CONFIDENCE standard compound; INTERNAL_ID 1142; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3044; ORIGINAL_PRECURSOR_SCAN_NO 3043

   

N-Acetyl-cysteine; LC-tDDA; CE10

N-Acetyl-cysteine; LC-tDDA; CE10

C5H9NO3S (163.03031239999999)


   

N-Acetyl-cysteine; LC-tDDA; CE20

N-Acetyl-cysteine; LC-tDDA; CE20

C5H9NO3S (163.03031239999999)


   

N-Acetyl-cysteine; LC-tDDA; CE30

N-Acetyl-cysteine; LC-tDDA; CE30

C5H9NO3S (163.03031239999999)


   

N-Acetyl-cysteine; LC-tDDA; CE40

N-Acetyl-cysteine; LC-tDDA; CE40

C5H9NO3S (163.03031239999999)


   

N-Acetyl-cysteine; AIF; CE0; MS2Dec

N-Acetyl-cysteine; AIF; CE0; MS2Dec

C5H9NO3S (163.03031239999999)


   

N-Acetyl-cysteine; AIF; CE10; MS2Dec

N-Acetyl-cysteine; AIF; CE10; MS2Dec

C5H9NO3S (163.03031239999999)


   

N-Acetyl-cysteine; AIF; CE30; MS2Dec

N-Acetyl-cysteine; AIF; CE30; MS2Dec

C5H9NO3S (163.03031239999999)


   

Acetyl-cysteine; AIF; CE0; CorrDec

Acetyl-cysteine; AIF; CE0; CorrDec

C5H9NO3S (163.03031239999999)


   

Acetyl-cysteine; AIF; CE10; CorrDec

Acetyl-cysteine; AIF; CE10; CorrDec

C5H9NO3S (163.03031239999999)


   

Acetyl-cysteine; AIF; CE30; CorrDec

Acetyl-cysteine; AIF; CE30; CorrDec

C5H9NO3S (163.03031239999999)


   

Acetyl-cysteine; AIF; CE0; MS2Dec

Acetyl-cysteine; AIF; CE0; MS2Dec

C5H9NO3S (163.03031239999999)


   

Acetyl-cysteine; AIF; CE10; MS2Dec

Acetyl-cysteine; AIF; CE10; MS2Dec

C5H9NO3S (163.03031239999999)


   

Acetyl-cysteine; AIF; CE30; MS2Dec

Acetyl-cysteine; AIF; CE30; MS2Dec

C5H9NO3S (163.03031239999999)


   
   

Phenethyl isothiocyanate

(2-Isothiocyanatoethyl)benzene, 9ci

C9H9NS (163.0455674)


An isothiocyanate having a phenethyl group attached to the nitrogen. It is a naturally occurring compound found in some cruciferous vegetables (e.g. watercress) and is known to possess anticancer properties. C1892 - Chemopreventive Agent > C54630 - Phase II Enzymes Inducer D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D009676 - Noxae > D002273 - Carcinogens D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors 2-Phenylethyl isothiocyanate is a potent antifungal agent. 2-Phenylethyl isothiocyanate significantly inhibited spore germination and mycelial growth of Alternaria alternata, with a MIC (minimum inhibitory concentration) of 1.22 mM. The antifungal effect of 2-Phenylethyl isothiocyanate against Alternaria alternata might be via reduction in toxin content and breakdown of cell membrane integrity[1][2].

   

2-Ethylbenzothiazole

2-ethyl-1,3-benzothiazole

C9H9NS (163.0455674)


   

4-Hydroxycinnamate

4-Hydroxycinnamate

C9H7O3 (163.0395172)


   

6-nitro-1H-pyrrolo[3,2-b]pyridine

6-nitro-1H-pyrrolo[3,2-b]pyridine

C7H5N3O2 (163.03817500000002)


   

5-Hydroxyisoindoline-1,3-dione

5-Hydroxyisoindoline-1,3-dione

C8H5NO3 (163.02694200000002)


   

imidazo[1,2-a]pyrazine-3-carboxylic acid

imidazo[1,2-a]pyrazine-3-carboxylic acid

C7H5N3O2 (163.03817500000002)


   
   
   

Benzene, 1-(isothiocyanatomethyl)-4-methyl-

Benzene, 1-(isothiocyanatomethyl)-4-methyl-

C9H9NS (163.0455674)


   

2-Methylbenzyl isothiocyanate

2-Methylbenzyl isothiocyanate

C9H9NS (163.0455674)


   

Pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione

Pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione

C7H5N3O2 (163.03817500000002)


   
   

5-fluoro-1h-indole-7-carbaldehyde

5-fluoro-1h-indole-7-carbaldehyde

C9H6FNO (163.04333979999998)


   

3H-IMIDAZO[4,5-B]PYRIDINE-2-CARBOXYLIC ACID

3H-IMIDAZO[4,5-B]PYRIDINE-2-CARBOXYLIC ACID

C7H5N3O2 (163.03817500000002)


   

3-(Phenylthio)propanenitrile

3-(Phenylthio)propanenitrile

C9H9NS (163.0455674)


   

Carsalam

Carsalam

C8H5NO3 (163.02694200000002)


C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic

   

1H-1,2,4-Triazole,1-(2-furanylcarbonyl)-(9CI)

1H-1,2,4-Triazole,1-(2-furanylcarbonyl)-(9CI)

C7H5N3O2 (163.03817500000002)


   
   

3-Cyano-4-hydroxybenzoic acid

3-Cyano-4-hydroxybenzoic acid

C8H5NO3 (163.02694200000002)


   

3-ethylphenyl isothiocyanate

3-ethylphenyl isothiocyanate

C9H9NS (163.0455674)


   

[4-(Methylsulfanyl)phenyl]acetonitrile

[4-(Methylsulfanyl)phenyl]acetonitrile

C9H9NS (163.0455674)


   

2-[(4-Methylphenyl)thio]acetonitrile

2-[(4-Methylphenyl)thio]acetonitrile

C9H9NS (163.0455674)


   
   

3-(Pyridin-3-Yl)-4,5-Dihydro-1,2,4-Oxadiazol-5-One

3-(Pyridin-3-Yl)-4,5-Dihydro-1,2,4-Oxadiazol-5-One

C7H5N3O2 (163.03817500000002)


   

1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid

1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid

C7H5N3O2 (163.03817500000002)


   

imidazo[1,2-a]pyrimidine-2-carboxylicacid

imidazo[1,2-a]pyrimidine-2-carboxylicacid

C7H5N3O2 (163.03817500000002)


   

BENZO[B]THIOPHEN-7-YLMETHANAMINE

BENZO[B]THIOPHEN-7-YLMETHANAMINE

C9H9NS (163.0455674)


   

2,3-dihydropyrido[3,4-d]pyridazine-1,4-dione

2,3-dihydropyrido[3,4-d]pyridazine-1,4-dione

C7H5N3O2 (163.03817500000002)


   

(3R)-3-Amino-5-hexynoic acid hydrochloride (1:1)

(3R)-3-Amino-5-hexynoic acid hydrochloride (1:1)

C6H10ClNO2 (163.040003)


   

[1,2,4]Triazolo[1,5-a]pyridine-2-carboxylic acid

[1,2,4]Triazolo[1,5-a]pyridine-2-carboxylic acid

C7H5N3O2 (163.03817500000002)


   

FURO[2,3-C]PYRIDINE-2-CARBOXYLIC ACID

FURO[2,3-C]PYRIDINE-2-CARBOXYLIC ACID

C8H5NO3 (163.02694200000002)


   

2-AZABICYCLO[3.1.0]HEXANE-1-CARBOXYLIC ACID HYDROCHLORIDE

2-AZABICYCLO[3.1.0]HEXANE-1-CARBOXYLIC ACID HYDROCHLORIDE

C6H10ClNO2 (163.040003)


   

2-(3-nitropyridin-2-yl)acetonitrile

2-(3-nitropyridin-2-yl)acetonitrile

C7H5N3O2 (163.03817500000002)


   

3H-Imidazo[4,5-b]pyridine-5-carboxylic acid

3H-Imidazo[4,5-b]pyridine-5-carboxylic acid

C7H5N3O2 (163.03817500000002)


   

7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid

7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid

C7H5N3O2 (163.03817500000002)


   
   

imidazo[1,2-a]pyrimidine-6-carboxylic acid

imidazo[1,2-a]pyrimidine-6-carboxylic acid

C7H5N3O2 (163.03817500000002)


   
   

1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C7H5N3O2 (163.03817500000002)


   

1H-PYRAZOLO[3,4-C]PYRIDINE-3-CARBOXYLIC ACID

1H-PYRAZOLO[3,4-C]PYRIDINE-3-CARBOXYLIC ACID

C7H5N3O2 (163.03817500000002)


   
   

5-(2-FURYL)ISOXAZOLE-3-CARBALDEHYDE

5-(2-FURYL)ISOXAZOLE-3-CARBALDEHYDE

C8H5NO3 (163.02694200000002)


   

4-Methyl Thio Benzyl Cyanide

4-Methyl Thio Benzyl Cyanide

C9H9NS (163.0455674)


   
   

4-Fluoro-1H-indole-7-carbaldehyde

4-Fluoro-1H-indole-7-carbaldehyde

C9H6FNO (163.04333979999998)


   

5-(trifluoromethyl)pyrazin-2-amine

5-(trifluoromethyl)pyrazin-2-amine

C5H4F3N3 (163.03573)


   

6-Fluoroindole-3-carboxaldehyde

6-Fluoroindole-3-carboxaldehyde

C9H6FNO (163.04333979999998)


   

6-(trifluoromethyl)pyrazin-2-amine

6-(trifluoromethyl)pyrazin-2-amine

C5H4F3N3 (163.03573)


   

2-Chloro-1-(4-morpholinyl)ethanone

2-Chloro-1-(4-morpholinyl)ethanone

C6H10ClNO2 (163.040003)


   

1H-Pyrazolo[3,4-c]pyridine-5-carboxylic acid

1H-Pyrazolo[3,4-c]pyridine-5-carboxylic acid

C7H5N3O2 (163.03817500000002)


   

1-benzothiophen-5-ylmethanamine

1-benzothiophen-5-ylmethanamine

C9H9NS (163.0455674)


   

2,5-dimethylbenzothiazole

2,5-dimethylbenzothiazole

C9H9NS (163.0455674)


   

S-ALLYL-D-CYSTEINE

S-ALLYL-D-CYSTEINE

C9H9NS (163.0455674)


   

(3S)-3-Amino-5-hexynoic acid hydrochloride

(3S)-3-Amino-5-hexynoic acid hydrochloride

C6H10ClNO2 (163.040003)


   

3,4-dehydro-l-proline methyl ester hydrochloride

3,4-dehydro-l-proline methyl ester hydrochloride

C6H10ClNO2 (163.040003)


   

6-(Trifluoromethyl)pyrimidin-4-amine

6-(Trifluoromethyl)pyrimidin-4-amine

C5H4F3N3 (163.03573)


   

2-(trifluoromethyl)pyrimidin-4-amine

2-(trifluoromethyl)pyrimidin-4-amine

C5H4F3N3 (163.03573)


   

5-(Trifluoromethyl)-2-pyrimidinamine

5-(Trifluoromethyl)-2-pyrimidinamine

C5H4F3N3 (163.03573)


   

3H-Imidazo[4,5-b]pyridine-7-carboxylic acid

3H-Imidazo[4,5-b]pyridine-7-carboxylic acid

C7H5N3O2 (163.03817500000002)


   

2(1H)-Pyrimidinone,4-(4-isoxazolyl)-(9CI)

2(1H)-Pyrimidinone,4-(4-isoxazolyl)-(9CI)

C7H5N3O2 (163.03817500000002)


   

Benzo[d]oxazole-4-carboxylic acid

Benzo[d]oxazole-4-carboxylic acid

C8H5NO3 (163.02694200000002)


   

(±)-1,1,1-Trifluoro-2-butanamine hydrochloride

(±)-1,1,1-Trifluoro-2-butanamine hydrochloride

C4H9ClF3N (163.03755800000002)


   

1H-Pyrazolo[4,3-b]pyridine-5-carboxylic acid

1H-Pyrazolo[4,3-b]pyridine-5-carboxylic acid

C7H5N3O2 (163.03817500000002)


   

1H-pyrazolo[4,3-b]pyridine-6-carboxylic acid

1H-pyrazolo[4,3-b]pyridine-6-carboxylic acid

C7H5N3O2 (163.03817500000002)


   
   

5-Fluoro-1H-indole-3-carbaldehyde

5-Fluoro-1H-indole-3-carbaldehyde

C9H6FNO (163.04333979999998)


   
   

imidazo[1,2-c]pyrimidine-2-carboxylic acid

imidazo[1,2-c]pyrimidine-2-carboxylic acid

C7H5N3O2 (163.03817500000002)


   
   
   

Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C7H5N3O2 (163.03817500000002)


   

Imidazo[1,2-b]pyridazine-3-carboxylic acid

Imidazo[1,2-b]pyridazine-3-carboxylic acid

C7H5N3O2 (163.03817500000002)


   
   

3-Nitro-1H-pyrrolo[2,3-b]pyridine

3-Nitro-1H-pyrrolo[2,3-b]pyridine

C7H5N3O2 (163.03817500000002)


   

1,3-Isobenzofurandione,4-amino-

1,3-Isobenzofurandione,4-amino-

C8H5NO3 (163.02694200000002)


   

1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid

1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid

C7H5N3O2 (163.03817500000002)


   

L-alpha-Methylbenzyl isothiocyanate

L-alpha-Methylbenzyl isothiocyanate

C9H9NS (163.0455674)


   

D-alpha-Methylbenzyl isothiocyanate

D-alpha-Methylbenzyl isothiocyanate

C9H9NS (163.0455674)


   

2,5,6-trifluoropyridine-3,4-diamine

2,5,6-trifluoropyridine-3,4-diamine

C5H4F3N3 (163.03573)


   

Furo[3,2-b]pyridine-5-carboxylic acid

Furo[3,2-b]pyridine-5-carboxylic acid

C8H5NO3 (163.02694200000002)


   

2-(4-Fluorophenyl)-3-oxopropanenitrile

2-(4-Fluorophenyl)-3-oxopropanenitrile

C9H6FNO (163.04333979999998)


   

5H-Pyrrolo[3,2-d]pyrimidine-4-carboxylic acid

5H-Pyrrolo[3,2-d]pyrimidine-4-carboxylic acid

C7H5N3O2 (163.03817500000002)


   

Imidazo[1,2-a]pyrazine-8-carboxylic acid

Imidazo[1,2-a]pyrazine-8-carboxylic acid

C7H5N3O2 (163.03817500000002)


   

1-METHYL-1,3-DIHYDRO-INDOLE-2-THIONE

1-METHYL-1,3-DIHYDRO-INDOLE-2-THIONE

C9H9NS (163.0455674)


   

4-(Aminomethyl)benzo[b]thiophene

4-(Aminomethyl)benzo[b]thiophene

C9H9NS (163.0455674)


   
   

pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione

pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione

C7H5N3O2 (163.03817500000002)


   
   
   

[1,2,4]Triazolo[4,3-a]pyridine-3-carboxylic acid

[1,2,4]Triazolo[4,3-a]pyridine-3-carboxylic acid

C7H5N3O2 (163.03817500000002)


   

phenyl N-(oxomethylidene)carbamate

phenyl N-(oxomethylidene)carbamate

C8H5NO3 (163.02694200000002)


   

2-Cyano-6-methyl-4-nitropyridine

2-Cyano-6-methyl-4-nitropyridine

C7H5N3O2 (163.03817500000002)


   

2-Cyano-3-methyl-4-nitropyridine

2-Cyano-3-methyl-4-nitropyridine

C7H5N3O2 (163.03817500000002)


   

2,4-Dimethylbenzothiazole

2,4-Dimethylbenzothiazole

C9H9NS (163.0455674)


   

2,1-Benzoxazole-3-carboxylic acid

2,1-Benzoxazole-3-carboxylic acid

C8H5NO3 (163.02694200000002)


   

5-Nitro-1H-pyrrolo[2,3-b]pyridine

5-Nitro-1H-pyrrolo[2,3-b]pyridine

C7H5N3O2 (163.03817500000002)


   

4-Nitro-1H-pyrrolo[2,3-b]pyridine

4-Nitro-1H-pyrrolo[2,3-b]pyridine

C7H5N3O2 (163.03817500000002)


   

[1,2,4]Triazolo[4,3-a]pyridine-7-carboxylic acid

[1,2,4]Triazolo[4,3-a]pyridine-7-carboxylic acid

C7H5N3O2 (163.03817500000002)


   

BENZO[D]OXAZOLE-7-CARBOXYLIC ACID

BENZO[D]OXAZOLE-7-CARBOXYLIC ACID

C8H5NO3 (163.02694200000002)


   
   

[1,2,4]Triazolo[1,5-a]pyridine-6-carboxylic acid

[1,2,4]Triazolo[1,5-a]pyridine-6-carboxylic acid

C7H5N3O2 (163.03817500000002)


   

3H-Imidazo[4,5-b]pyridine-6-carboxylic acid

3H-Imidazo[4,5-b]pyridine-6-carboxylic acid

C7H5N3O2 (163.03817500000002)


   

3-4-DEHYDRO-L-PROLINE METHYL ESTER

3-4-DEHYDRO-L-PROLINE METHYL ESTER

C6H10ClNO2 (163.040003)


   

4-(trifluoromethyl)pyrimidin-5-amine

4-(trifluoromethyl)pyrimidin-5-amine

C5H4F3N3 (163.03573)


   

1H,3H-Pyrazolo[4,3:5,6]pyrano[4,3-c]isoxazole(9CI)

1H,3H-Pyrazolo[4,3:5,6]pyrano[4,3-c]isoxazole(9CI)

C7H5N3O2 (163.03817500000002)


   

Imidazo[1,2-a]pyrazine-2-carboxylic acid

Imidazo[1,2-a]pyrazine-2-carboxylic acid

C7H5N3O2 (163.03817500000002)


   

potassium 5H-pyrrolo[3,2-d]pyrimidine-6-carboxylate

potassium 5H-pyrrolo[3,2-d]pyrimidine-6-carboxylate

C7H5N3O2 (163.03817500000002)


   

Benzooxazole-2-carboxylic acid

Benzooxazole-2-carboxylic acid

C8H5NO3 (163.02694200000002)


   
   

1-benzothiophen-2-ylmethylamine

1-benzothiophen-2-ylmethylamine

C9H9NS (163.0455674)


   

2-(Trifluoromethyl)-5-pyrimidinamine

2-(Trifluoromethyl)-5-pyrimidinamine

C5H4F3N3 (163.03573)


   
   

2-amino-4-trifluoromethylpyrimidine

2-amino-4-trifluoromethylpyrimidine

C5H4F3N3 (163.03573)


   

3-Nitro-1H-pyrrolo[3,2-b]pyridine

3-Nitro-1H-pyrrolo[3,2-b]pyridine

C7H5N3O2 (163.03817500000002)


   

Furo[3,2-b]pyridine-6-carboxylic acid

Furo[3,2-b]pyridine-6-carboxylic acid

C8H5NO3 (163.02694200000002)


   

6-methyl-5-nitropicolinonitrile

6-methyl-5-nitropicolinonitrile

C7H5N3O2 (163.03817500000002)


   

5-Cyano-2-hydroxyphenylboronic acid

5-Cyano-2-hydroxyphenylboronic acid

C7H6BNO3 (163.0440716)


   

2-Methyl-1H-indole-5-thiol

2-Methyl-1H-indole-5-thiol

C9H9NS (163.0455674)


   
   

2-(3-methylthiophen-2-yl)-1H-pyrrole

2-(3-methylthiophen-2-yl)-1H-pyrrole

C9H9NS (163.0455674)


   
   

4,5,6,7-tetrahydro-1-benzothiophene-4-carbonitrile

4,5,6,7-tetrahydro-1-benzothiophene-4-carbonitrile

C9H9NS (163.0455674)


   
   

2,6-Dimethylbenzothiazole

2,6-Dimethylbenzothiazole

C9H9NS (163.0455674)


   
   

cis-2- Amino-3-cyclopentene-1-carboxylic acid hydrochloride

cis-2- Amino-3-cyclopentene-1-carboxylic acid hydrochloride

C6H10ClNO2 (163.040003)


   

1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

C7H5N3O2 (163.03817500000002)


   

1H-Pyrrolo[2,3-b]pyridine-2,3-dione, 3-oxime

1H-Pyrrolo[2,3-b]pyridine-2,3-dione, 3-oxime

C7H5N3O2 (163.03817500000002)


   

Pyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione

Pyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione

C7H5N3O2 (163.03817500000002)


   

1H-Pyrazolo[4,3-c]pyridine-6-carboxylic acid

1H-Pyrazolo[4,3-c]pyridine-6-carboxylic acid

C7H5N3O2 (163.03817500000002)


   
   

Benzo[d]oxazole-6-carboxylic acid

Benzo[d]oxazole-6-carboxylic acid

C8H5NO3 (163.02694200000002)


   

Benzothiazole,2,3-dihydro-3-methyl-2-methylene-

Benzothiazole,2,3-dihydro-3-methyl-2-methylene-

C9H9NS (163.0455674)


   

5-Methyl-3-nitro-2-pyridinecarbonitrile

5-Methyl-3-nitro-2-pyridinecarbonitrile

C7H5N3O2 (163.03817500000002)


   
   

7-Fluoro-1H-indole-3-carbaldehyde

7-Fluoro-1H-indole-3-carbaldehyde

C9H6FNO (163.04333979999998)


   

7-(METHYLTHIO)-1H-INDOLE

7-(METHYLTHIO)-1H-INDOLE

C9H9NS (163.0455674)


   

3-Nitro-1H-pyrrolo[2,3-c]pyridine

3-Nitro-1H-pyrrolo[2,3-c]pyridine

C7H5N3O2 (163.03817500000002)


   

6-nitro-1H-pyrrolo[2,3-b]pyridine

6-nitro-1H-pyrrolo[2,3-b]pyridine

C7H5N3O2 (163.03817500000002)


   

7-fluoro-1H-indole-5-carbaldehyde

7-fluoro-1H-indole-5-carbaldehyde

C9H6FNO (163.04333979999998)


   

3-(2-Fluorophenyl)-3-oxopropanenitrile

3-(2-Fluorophenyl)-3-oxopropanenitrile

C9H6FNO (163.04333979999998)


   

Pyrido[2,3-d]pyridazine-5,8-diol

Pyrido[2,3-d]pyridazine-5,8-diol

C7H5N3O2 (163.03817500000002)


   

7-OXO-2,3-DIHYDRO-7H-[1,3]OXAZOLO[3,2-A]PYRIMIDINE-6-CARBONITRILE

7-OXO-2,3-DIHYDRO-7H-[1,3]OXAZOLO[3,2-A]PYRIMIDINE-6-CARBONITRILE

C7H5N3O2 (163.03817500000002)


   

Thieno[3,2-b]pyridine, 6-ethyl- (8CI,9CI)

Thieno[3,2-b]pyridine, 6-ethyl- (8CI,9CI)

C9H9NS (163.0455674)


   

pyrazolo[1,5-b]pyridazine-3-carboxylic acid

pyrazolo[1,5-b]pyridazine-3-carboxylic acid

C7H5N3O2 (163.03817500000002)


   

3-Aminomethylbenzo[b]thiophene

3-Aminomethylbenzo[b]thiophene

C9H9NS (163.0455674)


   

[1,2,4]Triazolo[4,3-a]pyridine-6-carboxylic acid

[1,2,4]Triazolo[4,3-a]pyridine-6-carboxylic acid

C7H5N3O2 (163.03817500000002)


   
   

Benzoxazole-5-carboxylic Acid

Benzoxazole-5-carboxylic Acid

C8H5NO3 (163.02694200000002)


   

3-(Trifluoromethyl)-2-pyrazinamine

3-(Trifluoromethyl)-2-pyrazinamine

C5H4F3N3 (163.03573)


   

6-(trifluoromethyl)pyridazin-3-amine

6-(trifluoromethyl)pyridazin-3-amine

C5H4F3N3 (163.03573)


   

(1S,4R)-4-Aminocyclopent-2-enecarboxylic acid hydrochloride

(1S,4R)-4-Aminocyclopent-2-enecarboxylic acid hydrochloride

C6H10ClNO2 (163.040003)


   
   

2,1-Benzisoxazole-4-carboxylicacid(9CI)

2,1-Benzisoxazole-4-carboxylicacid(9CI)

C8H5NO3 (163.02694200000002)


   

2,4-dimethylphenyl isothiocyanate

2,4-dimethylphenyl isothiocyanate

C9H9NS (163.0455674)


   
   

DL-alpha-Methylbenzyl isothiocyanate

DL-alpha-Methylbenzyl isothiocyanate

C9H9NS (163.0455674)


   
   

1,2,3,4-TETRAHYDROISOQUINOLINE-1-THIONE

1,2,3,4-TETRAHYDROISOQUINOLINE-1-THIONE

C9H9NS (163.0455674)


   
   
   

6-Fluoro-1(2H)-isoquinolinone

6-Fluoro-1(2H)-isoquinolinone

C9H6FNO (163.04333979999998)


   

Imidazo[1,2-b]pyridazine-6-carboxylic acid

Imidazo[1,2-b]pyridazine-6-carboxylic acid

C7H5N3O2 (163.03817500000002)


   

Furo[3,2-c]pyridine-2-carboxylic acid

Furo[3,2-c]pyridine-2-carboxylic acid

C8H5NO3 (163.02694200000002)


   

6-Nitro-1H-pyrrolo[3,2-c]pyridine

6-Nitro-1H-pyrrolo[3,2-c]pyridine

C7H5N3O2 (163.03817500000002)


   
   

1H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

1H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

C7H5N3O2 (163.03817500000002)


   

3,5-dimethylphenyl isothiocyanate

3,5-dimethylphenyl isothiocyanate

C9H9NS (163.0455674)


   

2-Isothiocyanato-1,3-dimethylbenzene

2-Isothiocyanato-1,3-dimethylbenzene

C9H9NS (163.0455674)


   

4-ethylphenyl isothiocyanate

4-ethylphenyl isothiocyanate

C9H9NS (163.0455674)


   

3,4-Dimethylphenyl isothiocyanate

3,4-Dimethylphenyl isothiocyanate

C9H9NS (163.0455674)


   

2,3-Dimethylphenyl isothiocyanate

2,3-Dimethylphenyl isothiocyanate

C9H9NS (163.0455674)


   
   

2,5-Dimethylphenyl isothiocyanate

2,5-Dimethylphenyl isothiocyanate

C9H9NS (163.0455674)


   

1,2-benzoxazole-3-carboxylic acid

1,2-benzoxazole-3-carboxylic acid

C8H5NO3 (163.02694200000002)


   
   

5-Fluoro-1H-indole-2-carbaldehyde

5-Fluoro-1H-indole-2-carbaldehyde

C9H6FNO (163.04333979999998)


   
   

3-acetyl-4-fluorobenzonitrile

3-acetyl-4-fluorobenzonitrile

C9H6FNO (163.04333979999998)


   

4-cyano-2-hydroxybenzoic acid

4-cyano-2-hydroxybenzoic acid

C8H5NO3 (163.02694200000002)


   

4- amino -2- butyn ethyl ester hydrochloride

4- amino -2- butyn ethyl ester hydrochloride

C6H10ClNO2 (163.040003)


   

Benzeneacetonitrile,2-(methylthio)-

Benzeneacetonitrile,2-(methylthio)-

C9H9NS (163.0455674)


   

(S)-3-AMINOHEX-5-YNOIC ACID HYDROCHLORIDE

(S)-3-AMINOHEX-5-YNOIC ACID HYDROCHLORIDE

C6H10ClNO2 (163.040003)


   
   

3-Nitro-1H-pyrrolo[3,2-c]pyridine

3-Nitro-1H-pyrrolo[3,2-c]pyridine

C7H5N3O2 (163.03817500000002)


   
   

6-[(HYDROXYIMINO)METHYL]-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBONITRILE

6-[(HYDROXYIMINO)METHYL]-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBONITRILE

C7H5N3O2 (163.03817500000002)


   

4-Fluoro-1H-indole-3-carbaldehyde

4-Fluoro-1H-indole-3-carbaldehyde

C9H6FNO (163.04333979999998)


   

2-(5-Nitropyridin-2-yl)acetonitrile

2-(5-Nitropyridin-2-yl)acetonitrile

C7H5N3O2 (163.03817500000002)


   
   

Furo[2,3-c]pyridine-5-carboxylic acid

Furo[2,3-c]pyridine-5-carboxylic acid

C8H5NO3 (163.02694200000002)


   
   

Isoguvacine hydrochloride

Isoguvacine hydrochloride

C6H10ClNO2 (163.040003)


Isoguvacine hydrochloride is a GABA receptor agonist.

   

5-Acetyl-2-fluorobenzonitrile

5-Acetyl-2-fluorobenzonitrile

C9H6FNO (163.04333979999998)


   

3-(3-Fluorphenyl)-3-oxopropanonitril

3-(3-Fluorphenyl)-3-oxopropanonitril

C9H6FNO (163.04333979999998)


   
   

1,3,4-Oxadiazol-2(3H)-one,5-(4-pyridinyl)-

1,3,4-Oxadiazol-2(3H)-one,5-(4-pyridinyl)-

C7H5N3O2 (163.03817500000002)


   

2-Cyano-4-methyl-5-nitropyridine

2-Cyano-4-methyl-5-nitropyridine

C7H5N3O2 (163.03817500000002)


   
   
   

3,4-(Methylenedioxy)phenyl isocyanate

3,4-(Methylenedioxy)phenyl isocyanate

C8H5NO3 (163.02694200000002)


   

Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C7H5N3O2 (163.03817500000002)


   
   

Benzene,(1-isothiocyanatoethyl)-

Benzene,(1-isothiocyanatoethyl)-

C9H9NS (163.0455674)


   
   

Isoxazole, 5-(3-fluorophenyl)- (9CI)

Isoxazole, 5-(3-fluorophenyl)- (9CI)

C9H6FNO (163.04333979999998)


   
   

Imidazo[1,2-b]pyridazine-2-carboxylic acid

Imidazo[1,2-b]pyridazine-2-carboxylic acid

C7H5N3O2 (163.03817500000002)


   

PYRAZOLO[1,5-A]PYRIMIDINE-5-CARBOXYLICACID

PYRAZOLO[1,5-A]PYRIMIDINE-5-CARBOXYLICACID

C7H5N3O2 (163.03817500000002)


   

Imidazo[1,2-a]pyrimidine-3-carboxylic acid

Imidazo[1,2-a]pyrimidine-3-carboxylic acid

C7H5N3O2 (163.03817500000002)


   
   

3-Oxo-3-phenylpropionate

3-Oxo-3-phenylpropionate

C9H7O3- (163.0395172)


   

N-(3-Mercapto-1-oxopropyl)glycine

N-(3-Mercapto-1-oxopropyl)glycine

C5H9NO3S (163.03031239999999)


   

Pyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione

Pyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione

C7H5N3O2 (163.03817500000002)


   

WLN: SCN2R

4-12-00-02476 (Beilstein Handbook Reference)

C9H9NS (163.0455674)


C1892 - Chemopreventive Agent > C54630 - Phase II Enzymes Inducer D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D009676 - Noxae > D002273 - Carcinogens D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors 2-Phenylethyl isothiocyanate is a potent antifungal agent. 2-Phenylethyl isothiocyanate significantly inhibited spore germination and mycelial growth of Alternaria alternata, with a MIC (minimum inhibitory concentration) of 1.22 mM. The antifungal effect of 2-Phenylethyl isothiocyanate against Alternaria alternata might be via reduction in toxin content and breakdown of cell membrane integrity[1][2].

   

2-Oxo-3-phenylpropanoate

2-Oxo-3-phenylpropanoate

C9H7O3- (163.0395172)


COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

4-coumarate

4-coumarate

C9H7O3- (163.0395172)


A coumarate that is the conjugate base of 4-coumaric acid. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

cis-2-Coumarate

cis-2-Coumarate

C9H7O3- (163.0395172)


A 2-coumarate that is the conjugate base of cis-2-coumaric acid.

   
   

trans-2-Coumarate

trans-2-Coumarate

C9H7O3- (163.0395172)


   

cis-4-Coumarate

cis-4-Coumarate

C9H7O3- (163.0395172)


A hydroxy monocarboxylic acid anion that is the conjugate base of cis-4-coumaric acid; major species at pH 7.3.

   

2-Phenyloxirane-2-carboxylate

2-Phenyloxirane-2-carboxylate

C9H7O3- (163.0395172)


   

(Z)-3-hydroxy-3-oxo-1-phenylprop-1-en-2-olate

(Z)-3-hydroxy-3-oxo-1-phenylprop-1-en-2-olate

C9H7O3- (163.0395172)


   

2-Hydroxy-3-phenylprop-2-enoate

2-Hydroxy-3-phenylprop-2-enoate

C9H7O3- (163.0395172)


   
   
   

1-Isothiocyanato-2-phenylethane (1,1,2,2-D4)

1-Isothiocyanato-2-phenylethane (1,1,2,2-D4)

C9H9NS (163.0455674)


   

Keto-phenylpyruvate

Keto-phenylpyruvate

C9H7O3 (163.0395172)


A 2-oxo monocarboxylic acid anion resulting from deprotonation of the carboxy group of keto-phenylpyruvic acid.

   

trans-4-Coumarate

trans-4-Coumarate

C9H7O3 (163.0395172)


The trans-isomer of 4-coumarate.

   

Enol-phenylpyruvate

Enol-phenylpyruvate

C9H7O3 (163.0395172)


   

trans-3-Coumarate

trans-3-Coumarate

C9H7O3 (163.0395172)


A 3-coumarate that is the conjugate base of trans-3-coumaric acid.

   

2-Coumarate

2-Coumarate

C9H7O3 (163.0395172)


A coumarate that is the conjugate base of 2-coumaric acid.

   

trans-2-Coumarate

trans-2-Coumarate

C9H7O3 (163.0395172)


The trans-isomer of 2-coumarate.

   

γ-Acetylenic GABA (hydrochloride)

γ-Acetylenic GABA (hydrochloride)

C6H10ClNO2 (163.040003)


γ-Acetylenic GABA (GAG) hydrochloride is an irreversible inhibitor of GABA-transaminase. γ-Acetylenic GABA hydrochloride can increase the concentration of GABA in rat brain[1][2][3]. γ-Acetylenic GABA (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.

   
   

1,4-thiazane-3-carboxylicacid s-oxide

NA

C5H9NO3S (163.03031239999999)


{"Ingredient_id": "HBIN001558","Ingredient_name": "1,4-thiazane-3-carboxylicacid s-oxide","Alias": "NA","Ingredient_formula": "C5H9NO3S","Ingredient_Smile": "C1CS(=O)CC(N1)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21314","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

2-amino-5-chlorohex-4-enoic acid

2-amino-5-chlorohex-4-enoic acid

C6H10ClNO2 (163.040003)


   

(2e)-7-(c-hydroxycarbonimidoyl)hept-2-en-4,6-diynoic acid

(2e)-7-(c-hydroxycarbonimidoyl)hept-2-en-4,6-diynoic acid

C8H5NO3 (163.02694200000002)


   

(2s)-2-amino-5-chlorohex-5-enoic acid

(2s)-2-amino-5-chlorohex-5-enoic acid

C6H10ClNO2 (163.040003)


   

7-(c-hydroxycarbonimidoyl)hept-2-en-4,6-diynoic acid

7-(c-hydroxycarbonimidoyl)hept-2-en-4,6-diynoic acid

C8H5NO3 (163.02694200000002)


   

(2r)-2-[(1-hydroxyethylidene)amino]-3-sulfanylpropanoic acid

(2r)-2-[(1-hydroxyethylidene)amino]-3-sulfanylpropanoic acid

C5H9NO3S (163.03031239999999)


   

(2r)-2-amino-5-chlorohex-5-enoic acid

(2r)-2-amino-5-chlorohex-5-enoic acid

C6H10ClNO2 (163.040003)


   

(2s,4z)-2-amino-5-chlorohex-4-enoic acid

(2s,4z)-2-amino-5-chlorohex-4-enoic acid

C6H10ClNO2 (163.040003)


   

2-amino-5-chlorohex-5-enoic acid

2-amino-5-chlorohex-5-enoic acid

C6H10ClNO2 (163.040003)