Exact Mass: 161.0088874

Exact Mass Matches: 161.0088874

Found 407 metabolites which its exact mass value is equals to given mass value 161.0088874, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

2,4-Quinolinediol

4-hydroxy-1,2-dihydroquinolin-2-one

C9H7NO2 (161.0476762)


   

Indole-3-carboxylic acid

1H-Indole-3-carboxylic acid

C9H7NO2 (161.0476762)


Indole-3-carboxylic acid, also known as 3-carboxyindole or 3-indolecarboxylate, belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. Indolecarboxylic acids and derivatives are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole. Naphthylmethylindoles: Any compound containing a 1H-indol-3-yl-(1-naphthyl)methane structure with substitution at the nitrogen atom of the indole ring by an alkyl, haloalkyl, alkenyl, cycloalkylmethyl, cycloalkylethyl, 1-(N-methyl-2-piperidinyl)methyl, or 2-(4-morpholinyl)ethyl group whether or not further substituted in the indole ring to any extent and whether or not substituted in the naphthyl ring to any extent. One example given is JWH-250. Outside of the human body, indole-3-carboxylic acid has been detected, but not quantified in several different foods, such as brassicas, broccoli, pulses, common beets, and barley. This could make indole-3-carboxylic acid a potential biomarker for the consumption of these foods. Notice the pentyl group substituted onto the nitrogen atom of the indole ring. Note that this definition encompasses only those compounds that have OH groups attached to both the phenyl and the cyclohexyl rings, and so does not include compounds such as O-1871 which lacks the cyclohexyl OH group, or compounds such as JWH-337 or JWH-344 which lack the phenolic OH group. Present in plants, e.g. apple (Pyrus malus), garden pea (Pisum sativum) and brassicas Indole-3-carboxylic acid is a normal urinary indolic tryptophan metabolite and has been found elevated in patients with liver diseases[1][2]. Indole-3-carboxylic acid is a normal urinary indolic tryptophan metabolite and has been found elevated in patients with liver diseases[1][2].

   

3,4-Dichloroaniline

1-Amino-3,4-dichlorobenzene

C6H5Cl2N (160.979903)


CONFIDENCE standard compound; INTERNAL_ID 8104

   

2,8-Quinolinediol

8-Hydroxy-2-oxo-1,2-dihydroquinoline

C9H7NO2 (161.0476762)


2,8-Quinolinediol, also known as quinoline-2,8-diol or 8-hydroxycarbostyril, belongs to the class of organic compounds known as quinolones and derivatives. Quinolones and derivatives are compounds containing a quinoline moiety that bears a ketone group. 2,8-Quinolinediol has been identified in urine (PMID: 30089834).

   

N-Formyl-L-aspartate

(2S)-2-[(hydroxymethylidene)amino]butanedioic acid

C5H7NO5 (161.0324212)


This compound belongs to the family of Dicarboxylic Acids and Derivatives. These are organic compounds containing exactly two carboxylic acid groups KEIO_ID F022

   

Quinoline-4,8-diol

hydroxy-8 dihydro-1,4 quinolone-4

C9H7NO2 (161.0476762)


This compound belongs to the family of Hydroxyquinolines. These are compounds containing a quinoline moiety bearing an hydroxyl group. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

4,6-Dihydroxyquinoline

6-Hydroxy-1H-quinolin-4-one

C9H7NO2 (161.0476762)


4,6-Dihydroxyquinoline is the product of the conversion of 5-hydroxykynurenamine by the enzyme monoamine oxidase, both metabolites from the 5-hydroxytryptophan metabolism. (PMIDs 7160021, 312499) [HMDB] 4,6-Dihydroxyquinoline is the product of the conversion of 5-hydroxykynurenamine by the enzyme monoamine oxidase, both metabolites from the 5-hydroxytryptophan metabolism. (PMIDs 7160021, 312499). COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Quinoline-3,4-diol

3-Hydroxy-1H-quinolin-4-one

C9H7NO2 (161.0476762)


   

2,4-Dichloroaniline

2,4-Dichloroaniline hydrochloride

C6H5Cl2N (160.979903)


   

2,5-DCA

1-Amino-2,5-dichlorobenzene

C6H5Cl2N (160.979903)


   

S-Allylcysteine

2-Amino-3-(prop-2-en-1-ylsulphanyl)propanoic acid

C6H11NO2S (161.0510466)


Occurs in garlic. Potential nutriceutical. S-Allylcysteine is found in garden onion, soft-necked garlic, and onion-family vegetables. S-Allylcysteine is found in garden onion. S-Allylcysteine occurs in garlic. Potential nutriceutica D000970 - Antineoplastic Agents S-Allyl-L-cysteine, one of the organosulfur compounds found in AGE, possess various biological effects including neurotrophic activity, anti-cancer activity, anti-inflammatory activity. S-Allyl-L-cysteine, one of the organosulfur compounds found in AGE, possess various biological effects including neurotrophic activity, anti-cancer activity, anti-inflammatory activity.

   

Entadamide A

N-(2-Hydroxyethyl)-3-methylthiopropenamide

C6H11NO2S (161.0510466)


   

5-Chloro-2,3,6-tri-hydroxypyridine

5-Chloro-2,3,6-tri-hydroxypyridine

C5H4ClNO3 (160.9879704)


   

3-Hydroxy-1H-quinolin-4-one

3-Hydroxy-1H-quinolin-4-one

C9H7NO2 (161.0476762)


   

2-Indolecarboxylic acid

1H-Indole-2-carboxylic acid

C9H7NO2 (161.0476762)


2-Indolecarboxylic acid is a strong inhibitor of lipid peroxidation, similar to melatonin and some structurally related indole compounds. Lipid peroxidation with tert-butyl hydroperoxide is a source of free radicals (PMID 12236544). 2-Indolecarboxylic acid is a phenolic components known to exist in Korean ginseng (Koryo Insam Hakhoechi (1996), 20(3), 284-290) and brown rice (Hanguk Nonghwa Hakhoechi (1995), 38(5), 478-83). 2-Indolecarboxylic acid is a strong inhibitor of lipid peroxidation, similar to melatonin and some structurally related indole compounds. COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Indole-2-carboxylic acid is a strong inhibitor of lipid peroxidation. Indole-2-carboxylic acid (I2CA) specifically and competitively inhibits the potentiation by glycine of NMDA-gated current[1][2]. Indole-2-carboxylic acid is a strong inhibitor of lipid peroxidation. Indole-2-carboxylic acid (I2CA) specifically and competitively inhibits the potentiation by glycine of NMDA-gated current[1][2].

   

Erucin

1-Isothiocyanato-4-(methylsulphanyl)butane

C6H11NS2 (161.0332886)


Occurs in seeds of salad rocket. Erucin is found in many foods, some of which are brassicas, cabbage, kohlrabi, and white cabbage. Erucin is found in brassicas. Erucin occurs in seeds of salad rocket.

   

3-Formyl-6-hydroxyindole

6-hydroxy-1H-indole-3-carbaldehyde

C9H7NO2 (161.0476762)


3-Formyl-6-hydroxyindole is found in mushrooms. 3-Formyl-6-hydroxyindole is an alkaloid from the edible mushroom Agrocybe cylindrace

   

1-Thiocyanato-4-(methylthio)butane

{[4-(methylsulphanyl)butyl]sulphanyl}carbonitrile

C6H11NS2 (161.0332886)


1-Thiocyanato-4-(methylthio)butane is found in brassicas. 1-Thiocyanato-4-(methylthio)butane is isolated from Eruca sativa (rocket). Isolated from Eruca sativa (rocket). 1-Thiocyanato-4-(methylthio)butane is found in brassicas.

   

trans-S-(1-Propenyl)-L-cysteine

2-Amino-3-[(1Z)-prop-1-en-1-ylsulphanyl]propanoic acid

C6H11NO2S (161.0510466)


trans-S-(1-Propenyl)-L-cysteine is found in onion-family vegetables. trans-S-(1-Propenyl)-L-cysteine is a constituent of garlic

   

A-Ketoglutaric acid oxime

(2E)-2-(hydroxyimino)pentanedioic acid

C5H7NO5 (161.0324212)


A-Ketoglutaric acid oxime, also known as a-ketoglutarate oxime or 2-oxime-(8ci)-2-oxoglutarate, belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.

   

1,4-Benzothiazepine

1,4-Benzothiazepine

C9H7NS (161.0299182)


   

1,5-Benzothiazepine

1,5-Benzothiazepine

C9H7NS (161.0299182)


   

1,5-Isoquinolinediol

5-hydroxy-1,2-dihydroisoquinolin-1-one

C9H7NO2 (161.0476762)


D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors

   

2,3-Dichloroaniline

N-(Cyclopropylmethyl)-19-N-propyldihydronororvinol hydrochloride

C6H5Cl2N (160.979903)


   

2,4-Dichloro-6-methylpyridine

2,4-Dichloro-6-methylpyridine

C6H5Cl2N (160.979903)


   

3-Hydroxyquinolin-2(1h)-One

3-Hydroxyquinolin-2(1h)-One

C9H7NO2 (161.0476762)


   

3,5-Dichloroaniline

3,5-Dichlorobenzenamine

C6H5Cl2N (160.979903)


   

6-Amino-5-chloropyrimidine-2,4(1H,3H)-dione

6-amino-5-chloro-1,2,3,4-tetrahydropyrimidine-2,4-dione

C4H4ClN3O2 (160.9992034)


   

8-Mercaptoquinoline

8-Mercaptoquinoline hydrochloride

C9H7NS (161.0299182)


   

Alanine glyoxylate

2-Oxoacetyl 2-aminopropaneperoxoic acid

C5H7NO5 (161.0324212)


   

Allyl cysteine

2-[(prop-2-en-1-yl)amino]-3-sulfanylpropanoic acid

C6H11NO2S (161.0510466)


D000970 - Antineoplastic Agents

   

Benzothiazepine

1,2-benzothiazepine

C9H7NS (161.0299182)


   

Clomethiazole

5-(2-chloroethyl)-4-methyl-1,3-thiazole

C6H8ClNS (161.00659579999999)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D020011 - Protective Agents Chlormethiazole is an potent and orally active GABAA?agonist[1]. Chlormethiazole inhibits cytochrome P450 isoforms: CYP2A6 and CYP2E1 in human liver microsomes. Chlormethiazole is an anticonvulsant agent and has the potential for treating convulsive status epilepticus[2].

   

Cysteine allyl ester

prop-2-en-1-yl 2-amino-3-sulfanylpropanoate

C6H11NO2S (161.0510466)


   

Glycine pyruvate

2-oxopropanoyl 2-aminoethaneperoxoate

C5H7NO5 (161.0324212)


   

Indole-5-carboxylic acid

1H-indole-5-carboxylic acid

C9H7NO2 (161.0476762)


   

N-Ethyl-N'-nitro-N-nitrosoguanidine

N-Ethyl-N-nitro-N-nitrosoguanidine

C3H7N5O3 (161.0548872)


   

N-Oxalyl-L-alanine

2-(carboxyformamido)propanoic acid

C5H7NO5 (161.0324212)


   

serine-glyoxylate

2-amino-3-[(2-oxoacetyl)oxy]propanoic acid

C5H7NO5 (161.0324212)


   

S-Propenylcysteine

(2R)-2-amino-3-[(1E)-prop-1-en-1-ylsulfanyl]propanoic acid

C6H11NO2S (161.0510466)


S-propenylcysteine is a member of the class of compounds known as L-cysteine-s-conjugates. L-cysteine-s-conjugates are compounds containing L-cysteine where the thio-group is conjugated. S-propenylcysteine is soluble (in water) and a moderately acidic compound (based on its pKa). S-propenylcysteine can be found in soft-necked garlic, which makes S-propenylcysteine a potential biomarker for the consumption of this food product. S-1-Propenyl-L-cysteine is a stereoisomer of S-allyl-l-cysteine, extracted from garlic, with immunomodulatory effects and reduces blood pressure in a hypertensive animal model[1]. S-1-Propenyl-L-cysteine exhibits antioxidative efficacy through a NO-dependent BACH1 signaling pathway[2]. S-1-Propenyl-L-cysteine is orally active. S-1-Propenyl-L-cysteine is a stereoisomer of S-allyl-l-cysteine, extracted from garlic, with immunomodulatory effects and reduces blood pressure in a hypertensive animal model[1].

   

S-Ethyl 2-acetylaminoethanethioate

N-[2-(Ethylsulphanyl)-2-oxoethyl]ethanimidic acid

C6H11NO2S (161.0510466)


It is used as a food additive .

   

2-keto-3-deoxy-L-rhamnonate

2-Dehydro-3-deoxy-L-rhamnonic acid anion

C6H9O5 (161.0449964)


2-keto-3-deoxy-l-rhamnonate, also known as kdr or 2-dehydro-3,6-dideoxy-L-mannonate, belongs to medium-chain keto acids and derivatives class of compounds. Those are keto acids with a 6 to 12 carbon atoms long side chain. 2-keto-3-deoxy-l-rhamnonate is soluble (in water) and a weakly acidic compound (based on its pKa). 2-keto-3-deoxy-l-rhamnonate can be found in a number of food items such as red beetroot, evergreen huckleberry, winter squash, and pepper (c. pubescens), which makes 2-keto-3-deoxy-l-rhamnonate a potential biomarker for the consumption of these food products.

   

2-oxo-5-methylthiopentanoate

2-(5-Methylsulphanyl)oxopentanoic acid

C6H9O3S (161.02723840000002)


2-oxo-5-methylthiopentanoate, also known as 5-(methylthio)-2-oxopentanoic-acid, is a member of the class of compounds known as thia fatty acids. Thia fatty acids are fatty acid derivatives obtained by insertion of a sulfur atom at specific positions in the chain. 2-oxo-5-methylthiopentanoate is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 2-oxo-5-methylthiopentanoate can be found in a number of food items such as wakame, soy bean, sea-buckthornberry, and oil palm, which makes 2-oxo-5-methylthiopentanoate a potential biomarker for the consumption of these food products.

   

5-Hydroxyindole-3-carbaldehyde

5-hydroxy-1H-indole-3-carbaldehyde

C9H7NO2 (161.0476762)


   

N-Hydroxy-2(1H)-quinolone

N-Hydroxy-2(1H)-quinolone

C9H7NO2 (161.0476762)


   

Clomethiazole

Clomethiazole

C6H8ClNS (161.00659579999999)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D020011 - Protective Agents Chlormethiazole is an potent and orally active GABAA?agonist[1]. Chlormethiazole inhibits cytochrome P450 isoforms: CYP2A6 and CYP2E1 in human liver microsomes. Chlormethiazole is an anticonvulsant agent and has the potential for treating convulsive status epilepticus[2].

   

1,5-isoquinolinediol

1,5-isoquinolinediol

C9H7NO2 (161.0476762)


D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors

   

2-Acetoxybenzonitrile

2-Acetoxybenzonitrile

C9H7NO2 (161.0476762)


   

4-aminothiane-4-carboxylic acid

4-aminothiane-4-carboxylic acid

C6H11NO2S (161.0510466)


   

3-Hydroxyquinolin-2-one

3-Hydroxyquinolin-2(1h)-One

C9H7NO2 (161.0476762)


   

5-carboxyindole

Indole-5-carboxylic acid

C9H7NO2 (161.0476762)


An indolecarboxylic acid in which the carboxy group is the only substituent and is located at position 5.

   

5-methyl-1H-indole-4,7-dione

5-methyl-1H-indole-4,7-dione

C9H7NO2 (161.0476762)


   

Jineol

Jineol

C9H7NO2 (161.0476762)


A dihydroxyquinoline that is quinoline substituted by hydroxy groups at positions 3 and 8. Isolated from the centipede Scolopendra subspinipes, it exhibits cytotoxic activity against human tumour cell lines. Jineol is a cytotoxic alkaloid from the centipede Scolopendra subspinipes. Jineol exhibits modest cytotoxic activity in vitro against the growth of human tumor cell lines[1].

   

6,7-dihydroxyisoquinoline

6,7-dihydroxyisoquinoline

C9H7NO2 (161.0476762)


   

5-Methoxy-7H-cyclopenta[c]pyridine-7-one

5-Methoxy-7H-cyclopenta[c]pyridine-7-one

C9H7NO2 (161.0476762)


   

5-hydroxy-1H-indole-3-carbaldehyde

5-hydroxy-1H-indole-3-carbaldehyde

C9H7NO2 (161.0476762)


   

5-phenylthiazole

5-phenylthiazole

C9H7NS (161.0299182)


   

2-(carbamothioylhydrazinylidene)propanoic acid

2-(carbamothioylhydrazinylidene)propanoic acid

C4H7N3O2S (161.0258962)


   

Indole-4-carboxylic acid

Indole-4-carboxylic acid

C9H7NO2 (161.0476762)


   

S-Propenylcysteine

(2R)-2-amino-3-[(E)-prop-1-enyl]sulfanylpropanoic acid

C6H11NO2S (161.0510466)


S-1-Propenyl-L-cysteine is a stereoisomer of S-allyl-l-cysteine, extracted from garlic, with immunomodulatory effects and reduces blood pressure in a hypertensive animal model[1]. S-1-Propenyl-L-cysteine exhibits antioxidative efficacy through a NO-dependent BACH1 signaling pathway[2]. S-1-Propenyl-L-cysteine is orally active. S-1-Propenyl-L-cysteine is a stereoisomer of S-allyl-l-cysteine, extracted from garlic, with immunomodulatory effects and reduces blood pressure in a hypertensive animal model[1].

   

S-Allylcysteine

S-Allyl-L-cysteine, United States Pharmacopeia (USP) Reference Standard

C6H11NO2S (161.0510466)


An S-hydrocarbyl-L-cysteine that is L-cysteine in which the hydrogen attached to the sulphur is replaced by a prop-2-enyl group. It commonly occurs in garlic and has been found to exhibit antineoplastic activity. S-allylcysteine is an S-hydrocarbyl-L-cysteine that is L-cysteine in which the hydrogen attached to the sulphur is replaced by a prop-2-enyl group. It commonly occurs in garlic and has been found to exhibit antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is a tautomer of a S-allylcysteine zwitterion. See also: Garlic (part of). C26170 - Protective Agent > C275 - Antioxidant D000970 - Antineoplastic Agents S-Allyl-L-cysteine, one of the organosulfur compounds found in AGE, possess various biological effects including neurotrophic activity, anti-cancer activity, anti-inflammatory activity. S-Allyl-L-cysteine, one of the organosulfur compounds found in AGE, possess various biological effects including neurotrophic activity, anti-cancer activity, anti-inflammatory activity.

   

4-HO-I3CHO

1H-Indole-3-carboxaldehyde, 4-hydroxy-

C9H7NO2 (161.0476762)


4-hydroxyindole-3-carbaldehyde is a heteroarenecarbaldehyde that is 4-hydroxyindole in which the hydrogen at position 3 has been replaced by a formyl group. It has a role as a plant metabolite. It is a member of hydroxyindoles and a heteroarenecarbaldehyde. 4-hydroxy-1H-indole-3-carbaldehyde is a natural product found in Arabidopsis thaliana with data available. A heteroarenecarbaldehyde that is 4-hydroxyindole in which the hydrogen at position 3 has been replaced by a formyl group. 4-Hydroxy-1H-indole-3-carbaldehyde is a plant metabolite found in Capparis spinosa L.. 4-Hydroxy-1H-indole-3-carbaldehyde can be used in the synthesis of fluorescent probe[1][2]. 4-Hydroxy-1H-indole-3-carbaldehyde is a plant metabolite found in Capparis spinosa L.. 4-Hydroxy-1H-indole-3-carbaldehyde can be used in the synthesis of fluorescent probe[1][2].

   

1H-Indole-3-carboxylic acid

1H-Indole-3-carboxylic acid

C9H7NO2 (161.0476762)


IPB_RECORD: 302; CONFIDENCE confident structure CONFIDENCE confident structure; IPB_RECORD: 302

   

3-Indolecarboxylic acid

Indole-3-carboxylic acid_120169

C9H7NO2 (161.0476762)


An indole-3-carboxylic acid carrying a carboxy group at position 3. Acquisition and generation of the data is financially supported in part by CREST/JST. IPB_RECORD: 2301; CONFIDENCE confident structure Indole-3-carboxylic acid is a normal urinary indolic tryptophan metabolite and has been found elevated in patients with liver diseases[1][2]. Indole-3-carboxylic acid is a normal urinary indolic tryptophan metabolite and has been found elevated in patients with liver diseases[1][2].

   

Indole-3-carboxylic_acid

Indole-3-carboxylic_acid

C9H7NO2 (161.0476762)


Acquisition and generation of the data is financially supported by the Max-Planck-Society

   

A-Ketoglutaric acid oxime

A-Ketoglutaric acid oxime

C5H7NO5 (161.0324212)


   

2,8-Quinolinediol

2,8-Dihydroxyquinoline

C9H7NO2 (161.0476762)


   

Indole-3-carboxylic acid

Indole-3-carboxylic acid

C9H7NO2 (161.0476762)


MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; KMAKOBLIOCQGJP-UHFFFAOYSA-N_STSL_0237_Indole-3-carboxylic acid_4000fmol_190403_S2_LC02MS02_082; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.

   

3,4-DICHLOROANILINE

3,4-DICHLOROANILINE

C6H5Cl2N (160.979903)


CONFIDENCE standard compound; INTERNAL_ID 4004

   

3,5-Dichloroaniline

3,5-Dichloroaniline

C6H5Cl2N (160.979903)


CONFIDENCE standard compound; INTERNAL_ID 1332; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4494; ORIGINAL_PRECURSOR_SCAN_NO 4489 CONFIDENCE standard compound; INTERNAL_ID 1332; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4502; ORIGINAL_PRECURSOR_SCAN_NO 4499 CONFIDENCE standard compound; INTERNAL_ID 1332; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4520; ORIGINAL_PRECURSOR_SCAN_NO 4518

   

2,8-Dihydroxyquinoline; LC-tDDA; CE10

2,8-Dihydroxyquinoline; LC-tDDA; CE10

C9H7NO2 (161.0476762)


   

2,8-Dihydroxyquinoline; LC-tDDA; CE20

2,8-Dihydroxyquinoline; LC-tDDA; CE20

C9H7NO2 (161.0476762)


   

2,8-Dihydroxyquinoline; LC-tDDA; CE30

2,8-Dihydroxyquinoline; LC-tDDA; CE30

C9H7NO2 (161.0476762)


   

2,8-Dihydroxyquinoline; LC-tDDA; CE40

2,8-Dihydroxyquinoline; LC-tDDA; CE40

C9H7NO2 (161.0476762)


   

2,8-Quinolinediol; AIF; CE0; CorrDec

2,8-Quinolinediol; AIF; CE0; CorrDec

C9H7NO2 (161.0476762)


   

2,8-Quinolinediol; AIF; CE10; CorrDec

2,8-Quinolinediol; AIF; CE10; CorrDec

C9H7NO2 (161.0476762)


   

2,8-Quinolinediol; AIF; CE30; CorrDec

2,8-Quinolinediol; AIF; CE30; CorrDec

C9H7NO2 (161.0476762)


   

2,8-Quinolinediol; AIF; CE0; MS2Dec

2,8-Quinolinediol; AIF; CE0; MS2Dec

C9H7NO2 (161.0476762)


   

Indole-2-carboxylic acid

Indole-2-carboxylic acid

C9H7NO2 (161.0476762)


COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Indole-2-carboxylic acid is a strong inhibitor of lipid peroxidation. Indole-2-carboxylic acid (I2CA) specifically and competitively inhibits the potentiation by glycine of NMDA-gated current[1][2]. Indole-2-carboxylic acid is a strong inhibitor of lipid peroxidation. Indole-2-carboxylic acid (I2CA) specifically and competitively inhibits the potentiation by glycine of NMDA-gated current[1][2].

   

2-Indolecarboxylic acid

2-Indolecarboxylic acid

C9H7NO2 (161.0476762)


   

2-(Hydroxyimino)- pentanedioic acid

2-(Hydroxyimino)- pentanedioic acid

C5H7NO5 (161.0324212)


   

trans-S-(1-Propenyl)-L-cysteine

2-amino-3-[(1Z)-prop-1-en-1-ylsulfanyl]propanoic acid

C6H11NO2S (161.0510466)


   

3-Formyl-6-hydroxyindole

6-hydroxy-1H-indole-3-carbaldehyde

C9H7NO2 (161.0476762)


   

Erucin

1-isothiocyanato-4-(methylsulfanyl)butane

C6H11NS2 (161.0332886)


   

4-(methylthio)Butyl thiocyanate, 9ci

{[4-(methylsulfanyl)butyl]sulfanyl}carbonitrile

C6H11NS2 (161.0332886)


   

5-hydroxyquinolin-2(1H)-one

2(1H)-Quinolinone,5-hydroxy-

C9H7NO2 (161.0476762)


   

Benzenethiol, 2-amino-3,5-difluoro- (9CI)

Benzenethiol, 2-amino-3,5-difluoro- (9CI)

C6H5F2NS (161.0110754)


   

5-chloro-2-methyl-4-nitro-1H-imidazole

5-chloro-2-methyl-4-nitro-1H-imidazole

C4H4ClN3O2 (160.9992034)


   

1-OXOISOINDOLINE-5-CARBALDEHYDE

1-OXOISOINDOLINE-5-CARBALDEHYDE

C9H7NO2 (161.0476762)


   

methyl 6-ethynylnicotinate

methyl 6-ethynylnicotinate

C9H7NO2 (161.0476762)


   

(R)-5,5-Dimethyl-1,3-thiazolidine-4-carboxylic acid

(R)-5,5-Dimethyl-1,3-thiazolidine-4-carboxylic acid

C6H11NO2S (161.0510466)


   

1H-Indole-6-carboxylic acid

1H-Indole-6-carboxylic acid

C9H7NO2 (161.0476762)


   

(2-Chloro-5-fluoropyridin-3-yl)methanol

(2-Chloro-5-fluoropyridin-3-yl)methanol

C6H5ClFNO (161.00436820000002)


   

2,5-Dichoro-3-picoline

2,5-Dichoro-3-picoline

C6H5Cl2N (160.979903)


   

Benzonitrile,3-(acetyloxy)-

Benzonitrile,3-(acetyloxy)-

C9H7NO2 (161.0476762)


   

4-Formyl-3-methoxybenzonitrile

4-Formyl-3-methoxybenzonitrile

C9H7NO2 (161.0476762)


   

5-Bromopentanenitrile

5-Bromopentanenitrile

C5H8BrN (160.9840068)


   

4-Isoxazolecarboxylicacid,3-chloro-5-methyl-(8CI,9CI)

4-Isoxazolecarboxylicacid,3-chloro-5-methyl-(8CI,9CI)

C5H4ClNO3 (160.9879704)


   

Methyl 4-cyanobenzoate

Methyl 4-cyanobenzoate

C9H7NO2 (161.0476762)


   

2-aminoresorcinol, hydrochloride

2-aminoresorcinol, hydrochloride

C6H8ClNO2 (161.0243538)


   

4-Aminotetrahydro-2H-thiopyran-4-carboxylic acid

2H-Thiopyran-4-carboxylicacid, 4-aminotetrahydro-

C6H11NO2S (161.0510466)


   
   

5H-[1,3]Dioxolo[4,5-f]indole

5H-[1,3]Dioxolo[4,5-f]indole

C9H7NO2 (161.0476762)


   

N-ETHYL-N-NITROSO-N′-NITROGUANIDINE

N-ETHYL-N-NITROSO-N′-NITROGUANIDINE

C3H7N5O3 (161.0548872)


   

4-(5-Oxazolyl)phenol

4-(5-Oxazolyl)phenol

C9H7NO2 (161.0476762)


   

3-bromo-2-(chloromethyl)pyridine

3-bromo-2-(chloromethyl)pyridine

C6H5Cl2N (160.979903)


   
   

2-Oxoindoline-3-carbaldehyde

2-Oxoindoline-3-carbaldehyde

C9H7NO2 (161.0476762)


   
   

(6-Chloro-3-fluoro-2-pyridinyl)methanol

(6-Chloro-3-fluoro-2-pyridinyl)methanol

C6H5ClFNO (161.00436820000002)


   

5-(CHLOROMETHYL)ISOXAZOLE-4-CARBOXYLIC &

5-(CHLOROMETHYL)ISOXAZOLE-4-CARBOXYLIC &

C5H4ClNO3 (160.9879704)


   

6-chloro-5-fluoro-2-methylpyrimidin-4-amine

6-chloro-5-fluoro-2-methylpyrimidin-4-amine

C5H5ClFN3 (161.01560120000002)


   

2,2-dimethylthiazolidine-4-carboxylic acid

2,2-Dimethyl-1,3-thiazolidine-4-carboxylic acid

C6H11NO2S (161.0510466)


   

1H-Indazole-5-carbonitrile,6-fluoro-(9CI)

1H-Indazole-5-carbonitrile,6-fluoro-(9CI)

C8H4FN3 (161.0389236)


   

2-Pyridinesulfonyl fluoride

2-Pyridinesulfonyl fluoride

C5H4FNO2S (160.9946776)


   
   
   

4-Fluoro-1H-indazole-5-carbonitrile

4-Fluoro-1H-indazole-5-carbonitrile

C8H4FN3 (161.0389236)


   

4-Chloro-2-(chloromethyl)pyridine

4-Chloro-2-(chloromethyl)pyridine

C6H5Cl2N (160.979903)


   

benzyl cyanoformate

benzyl cyanoformate

C9H7NO2 (161.0476762)


   

8-Quinolinol 1-oxide

8-Hydroxyquinoline 1-oxide

C9H7NO2 (161.0476762)


   

3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBONITRILE

3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBONITRILE

C5H2F3N3 (161.0200808)


   

Ethanone,1-(4-isocyanatophenyl)-

Ethanone,1-(4-isocyanatophenyl)-

C9H7NO2 (161.0476762)


   

sodium dimethyldithiocarbamate hydrate

sodium dimethyldithiocarbamate hydrate

C3H8NNaOS2 (160.9944998)


   

2,6-Dichloro-4-picoline

2,6-Dichloro-4-picoline

C6H5Cl2N (160.979903)


   

4-Hydroxy-1(2H)-isoquinolinone

4-Hydroxy-1(2H)-isoquinolinone

C9H7NO2 (161.0476762)


   

1-(Furo[3,2-b]pyridin-6-yl)ethanone

1-(Furo[3,2-b]pyridin-6-yl)ethanone

C9H7NO2 (161.0476762)


   

(5-Chloro-2-fluoro-3-pyridinyl)methanol

(5-Chloro-2-fluoro-3-pyridinyl)methanol

C6H5ClFNO (161.00436820000002)


   

1H-Indene,6-nitro-

1H-Indene,6-nitro-

C9H7NO2 (161.0476762)


   

1H-1,2,4-Triazole-1-carbonyl chloride, 2,3-dihydro-5-methyl-3-oxo- (9CI)

1H-1,2,4-Triazole-1-carbonyl chloride, 2,3-dihydro-5-methyl-3-oxo- (9CI)

C4H4ClN3O2 (160.9992034)


   

3-cyanopropyldimethylchlorosilane

3-cyanopropyldimethylchlorosilane

C6H12ClNSi (161.0427502)


   

Iodoethane-d5

Iodoethane-d5

C2D5I (160.97498589)


   

Methyl 2-cyanobenzoate

Methyl 2-cyanobenzoate

C9H7NO2 (161.0476762)


   

2,5-Pyrrolidinedione,1-(2-chloroethyl)-

2,5-Pyrrolidinedione,1-(2-chloroethyl)-

C6H8ClNO2 (161.0243538)


   

2-Chloro-5-chloromethylpyridine

2-Chloro-5-chloromethylpyridine

C6H5Cl2N (160.979903)


   

5-Chloro-2-(chloromethyl)pyridine

5-Chloro-2-(chloromethyl)pyridine

C6H5Cl2N (160.979903)


   

tert-Butylsulfonylacetonitrile

tert-Butylsulfonylacetonitrile

C6H11NO2S (161.0510466)


   

BENZOFURAN-2-CARBOXAMIDE

BENZOFURAN-2-CARBOXAMIDE

C9H7NO2 (161.0476762)


   

3-Chloro-2-(chloromethyl)pyridine

3-Chloro-2-(chloromethyl)pyridine

C6H5Cl2N (160.979903)


   

7-HYDROXYISOQUINOLIN-1(2H)-ONE

7-HYDROXYISOQUINOLIN-1(2H)-ONE

C9H7NO2 (161.0476762)


   

2-(Dichloromethyl)pyridine

2-(Dichloromethyl)pyridine

C6H5Cl2N (160.979903)


   

1,2-Benzisoxazole-5-carboxaldehyde,3-methyl-(9CI)

1,2-Benzisoxazole-5-carboxaldehyde,3-methyl-(9CI)

C9H7NO2 (161.0476762)


   

3-OXOISOINDOLINE-4-CARBALDEHYDE

3-OXOISOINDOLINE-4-CARBALDEHYDE

C9H7NO2 (161.0476762)


   

5-Phenylisoxazol-3-ol

5-phenyl-1,2-oxazol-3-one

C9H7NO2 (161.0476762)


   

4-(2-hydroxyacetyl)benzonitrile

4-(2-hydroxyacetyl)benzonitrile

C9H7NO2 (161.0476762)


   

METHYL-2-CHLOROOXAZOLE-4-CARBOXYLATE

METHYL-2-CHLOROOXAZOLE-4-CARBOXYLATE

C5H4ClNO3 (160.9879704)


   

2-(2-thienyl)pyridine

2-(2-thienyl)pyridine

C9H7NS (161.0299182)


   

1-(4-Fluorophenyl)methanamine hydrochloride (1:1)

1-(4-Fluorophenyl)methanamine hydrochloride (1:1)

C7H9ClFN (161.0407516)


   

2,4-Dichloro-5-picoline

2,4-Dichloro-5-picoline

C6H5Cl2N (160.979903)


   

7-aminocoumarin

7-aminocoumarin

C9H7NO2 (161.0476762)


   
   

Methyl (4R)-2-oxo-1,3-thiazolidine-4-carboxylate

Methyl (4R)-2-oxo-1,3-thiazolidine-4-carboxylate

C5H7NO3S (161.0146632)


   

2-Fluoro-N-methylaniline, HCl

2-Fluoro-N-methylaniline, HCl

C7H9ClFN (161.0407516)


   

5-Cyano-2-methoxybenzaldehyde

5-Cyano-2-methoxybenzaldehyde

C9H7NO2 (161.0476762)


   

3-Amino-1-propanesulfonic acid sodium

3-Amino-1-propanesulfonic acid sodium

C3H8NNaO3S (161.01225780000001)


   
   

4-(OXAZOL-2-YL)PHENOL

4-(OXAZOL-2-YL)PHENOL

C9H7NO2 (161.0476762)


   

5-Fluoro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile

5-Fluoro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile

C8H4FN3 (161.0389236)


   

3-Oxoisoindoline-5-carbaldehyde

3-Oxoisoindoline-5-carbaldehyde

C9H7NO2 (161.0476762)


   

Thiomorpholine, 4-acetyl-, 1-oxide (9CI)

Thiomorpholine, 4-acetyl-, 1-oxide (9CI)

C6H11NO2S (161.0510466)


   
   

2-(chloromethyl)-1,3-oxazole-5-carboxylic acid

2-(chloromethyl)-1,3-oxazole-5-carboxylic acid

C5H4ClNO3 (160.9879704)


   

5(4H)-Isoxazolone,3-phenyl-

5(4H)-Isoxazolone,3-phenyl-

C9H7NO2 (161.0476762)


   

5-Aminobenzene-1,3-diol hydrochloride

5-Aminobenzene-1,3-diol hydrochloride

C6H8ClNO2 (161.0243538)


   

2,3,5-Trifluoroisonicotinaldehyde

2,3,5-Trifluoroisonicotinaldehyde

C6H2F3NO (161.00884779999998)


   

2-ISOXAZOL-3-YL-PHENOL

2-ISOXAZOL-3-YL-PHENOL

C9H7NO2 (161.0476762)


   

1-ethenyl-4-isothiocyanatobenzene

1-ethenyl-4-isothiocyanatobenzene

C9H7NS (161.0299182)


   

5-Chloro-3-methyl-4-nitro-1H-pyrazole

5-Chloro-3-methyl-4-nitro-1H-pyrazole

C4H4ClN3O2 (160.9992034)


   

3-(2-hydroxyphenyl)-3-oxopropanenitrile

3-(2-hydroxyphenyl)-3-oxopropanenitrile

C9H7NO2 (161.0476762)


   

4,5-DIHYDRO-5-THIOXO-1,3,4-THIADIAZOLE-2-CARBOXAMIDE

4,5-DIHYDRO-5-THIOXO-1,3,4-THIADIAZOLE-2-CARBOXAMIDE

C3H3N3OS2 (160.9717548)


   
   

3-Isopropylthiazolidine-2-thione

3-Isopropylthiazolidine-2-thione

C6H11NS2 (161.0332886)


   

2-Chloro-5-fluoropyridine-3,4-diamine

2-Chloro-5-fluoropyridine-3,4-diamine

C5H5ClFN3 (161.01560120000002)


   

6-ISOCYANO-4-OXACHROMANE

6-ISOCYANO-4-OXACHROMANE

C9H7NO2 (161.0476762)


   

3-chloro-5-(chloromethyl)pyridine

3-chloro-5-(chloromethyl)pyridine

C6H5Cl2N (160.979903)


   

1H-Pyrazole-3-sulfonamide,1-methyl-(9CI)

1H-Pyrazole-3-sulfonamide,1-methyl-(9CI)

C4H7N3O2S (161.0258962)


   

2,3-dihydro-1,4-Isoquinolinedione

2,3-dihydro-1,4-Isoquinolinedione

C9H7NO2 (161.0476762)


   

2-Formyl-5-methoxybenzonitrile

2-Formyl-5-methoxybenzonitrile

C9H7NO2 (161.0476762)


   

1-methylimidazole-4-sulfonamide

1-methylimidazole-4-sulfonamide

C4H7N3O2S (161.0258962)


   

3-ethylsulfanyl-1,2,4-thiadiazol-5-amine

3-ethylsulfanyl-1,2,4-thiadiazol-5-amine

C4H7N3S2 (161.0081382)


   

2,4,6-Trifluorobenzylamine

2,4,6-Trifluorobenzylamine

C7H6F3N (161.0452312)


   

2,6-Dihydroxyquinoline

6-Hydroxyquinolin-2(1H)-one

C9H7NO2 (161.0476762)


   

N-(ETHOXYCARBONYL)THIOPROPIONAMIDE

N-(ETHOXYCARBONYL)THIOPROPIONAMIDE

C6H11NO2S (161.0510466)


   

2-amino-5-ethylthio-1,3,4-thiadiazole

1,3,4-Thiadiazol-2-amine, 5-(ethylthio)-

C4H7N3S2 (161.0081382)


   

2,3,4-trifluorobenzylamine

2,3,4-trifluorobenzylamine

C7H6F3N (161.0452312)


   

5-isocyanato-2,1,3-benzoxadiazole

5-isocyanato-2,1,3-benzoxadiazole

C7H3N3O2 (161.0225258)


   

2-cyano-2-phenylacetic acid

2-cyano-2-phenylacetic acid

C9H7NO2 (161.0476762)


   

N-[(5-CHLOROTHIEN-2-YL)METHYL]-N-METHYLAMINE

N-[(5-CHLOROTHIEN-2-YL)METHYL]-N-METHYLAMINE

C6H8ClNS (161.00659579999999)


   

2-METHYLBENZO[D]OXAZOLE-6-CARBALDEHYDE

2-METHYLBENZO[D]OXAZOLE-6-CARBALDEHYDE

C9H7NO2 (161.0476762)


   

4,7-Quinolinediol

4,7-Quinolinediol

C9H7NO2 (161.0476762)


   

6-Amino-2-thioxo-2,3-dihydropyrimidin-4(1H)-one hydrate

6-Amino-2-thioxo-2,3-dihydropyrimidin-4(1H)-one hydrate

C4H7N3O2S (161.0258962)


   

2,3-Dichloro-5-methylpyridine

2,3-Dichloro-5-methylpyridine

C6H5Cl2N (160.979903)


   

2,5-Dichloro-4-methylpyridine

2,5-Dichloro-4-methylpyridine

C6H5Cl2N (160.979903)


   

4-AMINO-CHROMEN-2-ONE

4-AMINO-CHROMEN-2-ONE

C9H7NO2 (161.0476762)


   

5-isocyanato-2,3-dihydrobenzofuran

5-isocyanato-2,3-dihydrobenzofuran

C9H7NO2 (161.0476762)


   

2,3-Dihydrobenzo[b][1,4]dioxine-5-carbonitrile

2,3-Dihydrobenzo[b][1,4]dioxine-5-carbonitrile

C9H7NO2 (161.0476762)


   

indolizine-2-carboxylic acid

indolizine-2-carboxylic acid

C9H7NO2 (161.0476762)


   

2-Aminobenzotrifluoride

2-Aminobenzotrifluoride

C7H6F3N (161.0452312)


   

5-Chloro-3-fluoro-2-methoxypyridine

5-Chloro-3-fluoro-2-methoxypyridine

C6H5ClFNO (161.00436820000002)


   

Ethanone,1-(3-isocyanatophenyl)-

Ethanone,1-(3-isocyanatophenyl)-

C9H7NO2 (161.0476762)


   

1H-Indene-1,2(3H)-dione,2-oxime

1H-Indene-1,2(3H)-dione,2-oxime

C9H7NO2 (161.0476762)


   

3,4,5-Trifluorobenzylamine

3,4,5-Trifluorobenzylamine

C7H6F3N (161.0452312)


   

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

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

C9H7NO2 (161.0476762)


   

5-PHENYLISOTHIAZOLE

5-PHENYLISOTHIAZOLE

C9H7NS (161.0299182)


   
   

Furan,2-(chloromethyl)-5-nitro-

Furan,2-(chloromethyl)-5-nitro-

C5H4ClNO3 (160.9879704)


   

5-fluoro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile

5-fluoro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile

C8H4FN3 (161.0389236)


   

(2-Chloro-5-fluoropyridin-4-yl)methanol

(2-Chloro-5-fluoropyridin-4-yl)methanol

C6H5ClFNO (161.00436820000002)


   

1,4-DITHIA-7-AZA-SPIRO[4.4]NONANE

1,4-DITHIA-7-AZA-SPIRO[4.4]NONANE

C6H11NS2 (161.0332886)


   

Sodium 2-(methylamino)ethanesulfonate

Sodium 2-(methylamino)ethanesulfonate

C3H8NNaO3S (161.01225780000001)


   
   

2,4-Dichlor-3-methylpyridin

2,4-Dichlor-3-methylpyridin

C6H5Cl2N (160.979903)


   

2(1H)-Quinolinethione

2(1H)-Quinolinethione

C9H7NS (161.0299182)


   

3-methoxybenzoyl cyanide

3-methoxybenzoyl cyanide

C9H7NO2 (161.0476762)


   

3-cyanophenylacetic acid

3-cyanophenylacetic acid

C9H7NO2 (161.0476762)


   

5-Methylindoline-2,3-dione

5-Methylindoline-2,3-dione

C9H7NO2 (161.0476762)


   

4-METHYL-1,3-THIAZOLE-5-CARBONYLCHLORIDE

4-METHYL-1,3-THIAZOLE-5-CARBONYLCHLORIDE

C5H4ClNOS (160.97021239999998)


   

2-Chloro-3-fluoro-4-(hydroxymethyl)pyridine

2-Chloro-3-fluoro-4-(hydroxymethyl)pyridine

C6H5ClFNO (161.00436820000002)


   

2-(tert-butylsulfonyl)acetonitrile

2-(tert-butylsulfonyl)acetonitrile

C6H11NO2S (161.0510466)


   

o-Carboxyphenylacetonitrile

o-Carboxyphenylacetonitrile

C9H7NO2 (161.0476762)


   
   

hydrazine,1,3,5-triazinane-2,4,6-trione

hydrazine,1,3,5-triazinane-2,4,6-trione

C3H7N5O3 (161.0548872)


   

2-(3-THIENYL)PYRIDINE

2-(3-THIENYL)PYRIDINE

C9H7NS (161.0299182)


   

Benzenethiol,2-amino-4,6-difluoro- (9CI)

Benzenethiol,2-amino-4,6-difluoro- (9CI)

C6H5F2NS (161.0110754)


   

2,3-dihydro-1,4-benzodioxine-6-carbonitrile

2,3-dihydro-1,4-benzodioxine-6-carbonitrile

C9H7NO2 (161.0476762)


   

2-(1,2,4-triazol-1-yl)ethanimidamide,hydrochloride

2-(1,2,4-triazol-1-yl)ethanimidamide,hydrochloride

C4H8ClN5 (161.0468198)


   

N,S-Diacetylcysteamine

N,S-Diacetylcysteamine

C6H11NO2S (161.0510466)


   

Methyl 3-cyanobenzoate

Methyl 3-cyanobenzoate

C9H7NO2 (161.0476762)


   

5-CHLORO-3-FLUORO-2-HYDRAZINYLPYRIDINE

5-CHLORO-3-FLUORO-2-HYDRAZINYLPYRIDINE

C5H5ClFN3 (161.01560120000002)


   

2-thiomorpholin-4-ylacetic acid

2-thiomorpholin-4-ylacetic acid

C6H11NO2S (161.0510466)


   

2,3,6-Trifluorobenzylamine

2,3,6-Trifluorobenzylamine

C7H6F3N (161.0452312)


   

2-Chloro-4-(chloromethyl)pyridine

2-Chloro-4-(chloromethyl)pyridine

C6H5Cl2N (160.979903)


   
   

2-Methyl-6-(trifluoromethyl)pyridine

2-Methyl-6-(trifluoromethyl)pyridine

C7H6F3N (161.0452312)


   

Dimethyl 2-(hydroxyimino)malonate

Propanedioic acid,2-(hydroxyimino)-, 1,3-dimethyl ester

C5H7NO5 (161.0324212)


   

2,4,6-Trimethyl-4H-1,3,5-dithiazine

2,4,6-Trimethyl-4H-1,3,5-dithiazine

C6H11NS2 (161.0332886)


   

3,5-Dichloro-4-picoline

3,5-Dichloro-4-picoline

C6H5Cl2N (160.979903)


   

3,4-Dichloro-2-Picoline

3,4-Dichloro-2-Picoline

C6H5Cl2N (160.979903)


   

(4R)-4-Isopropyl-1,3-thiazolidine-2-thione

(4R)-4-Isopropyl-1,3-thiazolidine-2-thione

C6H11NS2 (161.0332886)


   

5-Isoxazolecarboxylicacid,4-chloro-3-methyl-(9CI)

5-Isoxazolecarboxylicacid,4-chloro-3-methyl-(9CI)

C5H4ClNO3 (160.9879704)


   

4,5-Quinolinediol

4,5-Quinolinediol

C9H7NO2 (161.0476762)


   

1H-Indazole-5-carbonitrile,7-fluoro-(9CI)

1H-Indazole-5-carbonitrile,7-fluoro-(9CI)

C8H4FN3 (161.0389236)


   

2-Methyl-5-(trifluoromethyl)pyridine

2-Methyl-5-(trifluoromethyl)pyridine

C7H6F3N (161.0452312)


   

4-Aminobenzotrifluoride

4-(Trifluoromethyl)aniline

C7H6F3N (161.0452312)


   

2-bromo-3-(chloromethyl)pyridine

2-bromo-3-(chloromethyl)pyridine

C6H5Cl2N (160.979903)


   

5-Chloro-1-methyl-4-nitro-1H-pyrazole

5-Chloro-1-methyl-4-nitro-1H-pyrazole

C4H4ClN3O2 (160.9992034)


   

3-Amino-2H-chromen-2-one

3-Amino-2H-chromen-2-one

C9H7NO2 (161.0476762)


   

Pyrocatechol, 4-amino-, hydrochloride

Pyrocatechol, 4-amino-, hydrochloride

C6H8ClNO2 (161.0243538)


   

1-(2-Chloro-acetyl)-pyrrolidin-2-one

1-(2-Chloro-acetyl)-pyrrolidin-2-one

C6H8ClNO2 (161.0243538)


   

2,3-DIHYDROBENZO[B][1,4]DIOXINE-2-CARBONITRILE

2,3-DIHYDROBENZO[B][1,4]DIOXINE-2-CARBONITRILE

C9H7NO2 (161.0476762)


   

4-Cyano-3-methylbenzoic acid

4-Cyano-3-methylbenzoic acid

C9H7NO2 (161.0476762)


   

3-(3-hydroxy-phenyl)-3-oxo-propionitrile

3-(3-hydroxy-phenyl)-3-oxo-propionitrile

C9H7NO2 (161.0476762)


   

Methyl 2-chloro-1,3-oxazole-4-carboxylate

Methyl 2-chloro-1,3-oxazole-4-carboxylate

C5H4ClNO3 (160.9879704)


   

3-chloro-4-(chloromethyl)pyridine

3-chloro-4-(chloromethyl)pyridine

C6H5Cl2N (160.979903)


   

2-methylbenzoyl isocyanate

2-methylbenzoyl isocyanate

C9H7NO2 (161.0476762)


   
   

2H-Isoindole-1-carboxylic acid

2H-Isoindole-1-carboxylic acid

C9H7NO2 (161.0476762)


   

5-Thiazoleethanol,2-fluoro-4-methyl-

5-Thiazoleethanol,2-fluoro-4-methyl-

C6H8FNOS (161.031061)


   

5-Chloro-1-methyl-4-nitroimidazole

5-Chloro-1-methyl-4-nitroimidazole

C4H4ClN3O2 (160.9992034)


   

3-(Trifluoromethyl)aniline

3-(Trifluoromethyl)aniline

C7H6F3N (161.0452312)


   

4-phenyl-1,3-thiazole

4-phenyl-1,3-thiazole

C9H7NS (161.0299182)


   

2-Methyl-1,3-benzoxazole-5-carbaldehyde

2-Methyl-1,3-benzoxazole-5-carbaldehyde

C9H7NO2 (161.0476762)


   

indolizine-6-carboxylic acid

indolizine-6-carboxylic acid

C9H7NO2 (161.0476762)


   

Peperacetonitrile

1,3-Benzodioxole-5-acetonitrile

C9H7NO2 (161.0476762)


   

2-Phenyloxazolin-5-one

2-Phenyloxazol-5(4H)-one

C9H7NO2 (161.0476762)


   

1-(1,3-benzoxazol-2-yl)ethanone

1-(1,3-benzoxazol-2-yl)ethanone

C9H7NO2 (161.0476762)


   

2,3-dihydrothiazole-2-carbonyl chloride

2,3-dihydrothiazole-2-carbonyl chloride

C6H11NS2 (161.0332886)


   

3-(4-hydroxy-phenyl)-3-oxo-propionitrile

3-(4-hydroxy-phenyl)-3-oxo-propionitrile

C9H7NO2 (161.0476762)


   

3-Amino-2,2-difluoropropanoic acid hydrochloride

3-Amino-2,2-difluoropropanoic acid hydrochloride

C3H6ClF2NO2 (161.005511)


   

4-Aminoresorcinol hydrochloride

4-Aminoresorcinol hydrochloride

C6H8ClNO2 (161.0243538)


   

2-Cyanophenylacetic acid

2-Cyanophenylacetic acid

C9H7NO2 (161.0476762)


   

4-Methyl-5-methylsulfanyl-4H-[1,2,4]triazole-3-thiol

4-Methyl-5-methylsulfanyl-4H-[1,2,4]triazole-3-thiol

C4H7N3S2 (161.0081382)


   

6-Hydroxyisoquinolin-1(2H)-one

6-Hydroxyisoquinolin-1(2H)-one

C9H7NO2 (161.0476762)


   

3,5-Dichloro-2-methylpyridine

3,5-Dichloro-2-methylpyridine

C6H5Cl2N (160.979903)


   

4-(Cyanomethyl)benzoic acid

4-(Cyanomethyl)benzoic acid

C9H7NO2 (161.0476762)


   

6-Fluoro-1H-indazole-3-carbonitrile

6-Fluoro-1H-indazole-3-carbonitrile

C8H4FN3 (161.0389236)


   

2,6-Dichloroaniline

2,6-Dichloroaniline

C6H5Cl2N (160.979903)


   
   

3-AMINOTETRAHYDRO-2H-THIOPYRAN-3-CARBOXYLIC ACID

3-AMINOTETRAHYDRO-2H-THIOPYRAN-3-CARBOXYLIC ACID

C6H11NO2S (161.0510466)


   

(4-Cyanophenyl)acetic acid

(4-Cyanophenyl)acetic acid

C9H7NO2 (161.0476762)


   

1-(5-CHLORO-2-THIENYL)ETHYLAMINE

1-(5-CHLORO-2-THIENYL)ETHYLAMINE

C6H8ClNS (161.00659579999999)


   

5-(ethylamino)-3H-1,3,4-thiadiazole-2-thione

5-(ethylamino)-3H-1,3,4-thiadiazole-2-thione

C4H7N3S2 (161.0081382)


   

2-METHYL-4-THIAZOLECARBONYLCHLORIDE

2-METHYL-4-THIAZOLECARBONYLCHLORIDE

C5H4ClNOS (160.97021239999998)


   

3-Isoxazolecarboxylicacid,5-chloro-4-methyl-(7CI,9CI)

3-Isoxazolecarboxylicacid,5-chloro-4-methyl-(7CI,9CI)

C5H4ClNO3 (160.9879704)


   

4-Formyl-2-methoxybenzonitrile

4-Formyl-2-methoxybenzonitrile

C9H7NO2 (161.0476762)


   

4-Cyano-2-methylbenzoic acid

4-Cyano-2-methylbenzoic acid

C9H7NO2 (161.0476762)


   

2-(chloromethyl)-4,5-dimethyl-1,3-thiazole(SALTDATA: FREE)

2-(chloromethyl)-4,5-dimethyl-1,3-thiazole(SALTDATA: FREE)

C6H8ClNS (161.00659579999999)


   

2-Acetyl-4-cyanophenol

2-Acetyl-4-cyanophenol

C9H7NO2 (161.0476762)


   

Methyl4-ethynylpyridine-2-carboxylate

Methyl4-ethynylpyridine-2-carboxylate

C9H7NO2 (161.0476762)


   

(2-formylphenoxy)acetonitrile(SALTDATA: FREE)

(2-formylphenoxy)acetonitrile(SALTDATA: FREE)

C9H7NO2 (161.0476762)


   

Ethanone, 1-(1,2-benzisoxazol-3-yl)- (9CI)

Ethanone, 1-(1,2-benzisoxazol-3-yl)- (9CI)

C9H7NO2 (161.0476762)


   

Sodium 2-nitrophenoxide

Sodium 2-nitrophenoxide

C6H4NNaO3 (161.0088874)


   

Sodium 4-nitrophenoxide

Sodium 4-nitrophenoxide

C6H4NNaO3 (161.0088874)


   

4-Fluoro-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile

4-Fluoro-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile

C8H4FN3 (161.0389236)


   

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

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

C9H7NO2 (161.0476762)


   

7-ISOCYANATO-2,3-DIHYDROBENZO[B]FURAN

7-ISOCYANATO-2,3-DIHYDROBENZO[B]FURAN

C9H7NO2 (161.0476762)


   

2,3-Dichloro-6-picoline

2,3-Dichloro-6-picoline

C6H5Cl2N (160.979903)


   

4-Hydroxyquinolin-2(1H)-one

4-Hydroxyquinolin-2(1H)-one

C9H7NO2 (161.0476762)


   

3-(Cyanomethyl)benzoic acid

3-(Cyanomethyl)benzoic acid

C9H7NO2 (161.0476762)


   

4-methoxybenzoyl cyanide

4-methoxybenzoyl cyanide

C9H7NO2 (161.0476762)


   

6-(2H-1,2-oxazol-5-ylidene)cyclohexa-2,4-dien-1-one

6-(2H-1,2-oxazol-5-ylidene)cyclohexa-2,4-dien-1-one

C9H7NO2 (161.0476762)


   

isocyanatomethyl-dimethoxy-methylsilane

isocyanatomethyl-dimethoxy-methylsilane

C5H11NO3Si (161.05081760000002)


   

5-Methyl-2-(trifluoromethyl)pyridine

5-Methyl-2-(trifluoromethyl)pyridine

C7H6F3N (161.0452312)


   

2,6-Dichloro-3-methylpyridine

2,6-Dichloro-3-methylpyridine

C6H5Cl2N (160.979903)


   

(4S,2RS)-2-ETHYLTHIAZOLIDINE-4-CARBOXYLIC ACID

(4S,2RS)-2-ETHYLTHIAZOLIDINE-4-CARBOXYLIC ACID

C6H11NO2S (161.0510466)


   

4-mercaptoquinoline

4-mercaptoquinoline

C9H7NS (161.0299182)


   

7-Hydroxyquinolinone

7-hydroxyquinolin-2(1H)-one

C9H7NO2 (161.0476762)


   

3-(3-THIENYL)PYRIDINE

3-(3-THIENYL)PYRIDINE

C9H7NS (161.0299182)


   

5-Cyano-2-methyl-benzoic acid

5-Cyano-2-methyl-benzoic acid

C9H7NO2 (161.0476762)


   

Thiocarbamoylameisensaeure-tert.-butylester

Thiocarbamoylameisensaeure-tert.-butylester

C6H11NO2S (161.0510466)


   

Benzonitrile,3-acetyl-2-hydroxy-(9CI)

Benzonitrile,3-acetyl-2-hydroxy-(9CI)

C9H7NO2 (161.0476762)


   

DIMETHYLDITHIOCARBAMIC ACID SODIUM SALT DIHYDRATE

DIMETHYLDITHIOCARBAMIC ACID SODIUM SALT DIHYDRATE

C3H8NNaOS2 (160.9944998)


   

4-Chloro-3-fluoro-5-methoxypyridine

4-Chloro-3-fluoro-5-methoxypyridine

C6H5ClFNO (161.00436820000002)


   

6-Chloropyrimidine-2,4,5-triamine

6-Chloropyrimidine-2,4,5-triamine

C4H8ClN5 (161.0468198)


   

2-Chloro-6-(chloromethyl)pyridine

2-Chloro-6-(chloromethyl)pyridine

C6H5Cl2N (160.979903)


   

2-Chloro-3-fluoro-5-methyl-4-pyridinol

2-Chloro-3-fluoro-5-methyl-4-pyridinol

C6H5ClFNO (161.00436820000002)


   

Phenol, 4-amino-2-chloro-6-fluoro-

Phenol, 4-amino-2-chloro-6-fluoro-

C6H5ClFNO (161.00436820000002)


   

sulfonitric mixed acid

sulfonitric mixed acid

H3NO7S (160.9630248)


   

4-Methyl-2-(trifluoromethyl)pyridine

4-Methyl-2-(trifluoromethyl)pyridine

C7H6F3N (161.0452312)


   

2-PHENYLTHIAZOLE

2-PHENYLTHIAZOLE

C9H7NS (161.0299182)


   

4-(Hydroxymethyl)pyridin-3-ol hydrochloride

4-(Hydroxymethyl)pyridin-3-ol hydrochloride

C6H8ClNO2 (161.0243538)


   

4-Methylphthalimide

4-Methylphthalimide

C9H7NO2 (161.0476762)


   

(S)-4-Isopropyl-1,3-thiazolidine-2-thione

(S)-4-Isopropyl-1,3-thiazolidine-2-thione

C6H11NS2 (161.0332886)


   

2-methoxy-3-chloro-5-fluoropyridine

2-methoxy-3-chloro-5-fluoropyridine

C6H5ClFNO (161.00436820000002)


   

4-cyanophenyl acetate

4-cyanophenyl acetate

C9H7NO2 (161.0476762)


   

3-(2-thienyl)pyridine

3-(2-thienyl)pyridine

C9H7NS (161.0299182)


   

4-Diazodiphenylamine sulfate

4-Diazodiphenylamine sulfate

C9H7NO2 (161.0476762)


   

4,5-Dichloro-2-Methylpyridine

4,5-Dichloro-2-Methylpyridine

C6H5Cl2N (160.979903)


   

(4-Formylphenoxy)acetonitrile

(4-Formylphenoxy)acetonitrile

C9H7NO2 (161.0476762)


   

2-Amino-4H-1-benzopyran-4-one

2-Amino-4H-1-benzopyran-4-one

C9H7NO2 (161.0476762)


   

4-(chloromethyl)-2-ethyl-1,3-thiazole

4-(chloromethyl)-2-ethyl-1,3-thiazole

C6H8ClNS (161.00659579999999)


   

6H-[1,3]Dioxolo[4,5-e]indole

6H-[1,3]Dioxolo[4,5-e]indole

C9H7NO2 (161.0476762)


   

3-Methyl-5-(trifluoromethyl)pyridine

3-Methyl-5-(trifluoromethyl)pyridine

C7H6F3N (161.0452312)


   

2-Methyl-4-(trifluoromethyl)pyridine

2-Methyl-4-(trifluoromethyl)pyridine

C7H6F3N (161.0452312)


   
   

ethyl thiazolidine-4-carboxylate

ethyl thiazolidine-4-carboxylate

C6H11NO2S (161.0510466)


   

2-Methyl-4H-3,1-benzoxazin-4-one

2-Methyl-4H-3,1-benzoxazin-4-one

C9H7NO2 (161.0476762)


   

4-Chloro-5-Methyl-3-nitropyrazole

4-Chloro-5-Methyl-3-nitropyrazole

C4H4ClN3O2 (160.9992034)


   

Indole-7-carboxylic acid

Indole-7-carboxylic acid

C9H7NO2 (161.0476762)


   

2-methoxybenzoyl cyanide

2-methoxybenzoyl cyanide

C9H7NO2 (161.0476762)


   

N,N-dimethyl-1-prop-2-enylsulfanyl-methanethioamide

N,N-dimethyl-1-prop-2-enylsulfanyl-methanethioamide

C6H11NS2 (161.0332886)


   

3-methyl-2-(trifluoromethyl)pyridine

3-methyl-2-(trifluoromethyl)pyridine

C7H6F3N (161.0452312)


   

4-Chloro-5-fluoro-2-pyridinemethanol

4-Chloro-5-fluoro-2-pyridinemethanol

C6H5ClFNO (161.00436820000002)


   

Dimethyl 2-diazomalonate

Dimethyl 2-diazomalonate

C5H9N2O4+ (161.0562294)


   

4(1H)-Pyrimidinethione,5-amino-6-chloro-

4(1H)-Pyrimidinethione,5-amino-6-chloro-

C4H4ClN3S (160.98144539999998)


   

2,3,5-Trifluorobenzylamine

2,3,5-Trifluorobenzylamine

C7H6F3N (161.0452312)


   

2,4,5-Trifluorobenzylamine

2,4,5-Trifluorobenzylamine

C7H6F3N (161.0452312)


   

3-(Chloromethyl)-1,2,4-oxadiazole-5-carboxamide

3-(Chloromethyl)-1,2,4-oxadiazole-5-carboxamide

C4H4ClN3O2 (160.9992034)


   

1H-Pyrazole,1-(chloromethyl)-3-nitro-(9CI)

1H-Pyrazole,1-(chloromethyl)-3-nitro-(9CI)

C4H4ClN3O2 (160.9992034)


   

3-amino-4-chloro-1H-pyrazole-5-carboxylic acid

3-amino-4-chloro-1H-pyrazole-5-carboxylic acid

C4H4ClN3O2 (160.9992034)


   

Methyl 3-chloro-1H-1,2,4-triazole-5-carboxylate

Methyl 3-chloro-1H-1,2,4-triazole-5-carboxylate

C4H4ClN3O2 (160.9992034)


   

6-Methyl-1H-indole-2,3-dione

6-Methyl-1H-indole-2,3-dione

C9H7NO2 (161.0476762)


   
   

5-ACETYL-2-HYDROXY-BENZONITRILE

5-ACETYL-2-HYDROXY-BENZONITRILE

C9H7NO2 (161.0476762)


   

3-Cyano-5-methylbenzoic acid

3-Cyano-5-methylbenzoic acid

C9H7NO2 (161.0476762)


   

Methyl 6-ethynylpicolinate

Methyl 6-ethynylpicolinate

C9H7NO2 (161.0476762)


   

2-Pyridinemethanol, 3-hydroxy-, hydrochloride

2-Pyridinemethanol, 3-hydroxy-, hydrochloride

C6H8ClNO2 (161.0243538)


   

(4R)-2,2-Dimethyl-1,3-thiazolidine-4-carboxylic acid

(4R)-2,2-Dimethyl-1,3-thiazolidine-4-carboxylic acid

C6H11NO2S (161.0510466)


   

(Z,4S,5R)-1,4,5-trihydroxy-1-oxohex-2-en-3-olate

(Z,4S,5R)-1,4,5-trihydroxy-1-oxohex-2-en-3-olate

C6H9O5- (161.0449964)


   

5,5-Dimethylthiazolidine-4-carboxylic acid

5,5-Dimethylthiazolidine-4-carboxylic acid

C6H11NO2S (161.0510466)


   

Methyl 5-ethynylpyridine-2-carboxylate

Methyl 5-ethynylpyridine-2-carboxylate

C9H7NO2 (161.0476762)


   

4-Hydroxy-1H-indole-3-carbaldehyde

4-hydroxy-1H-indole-3-carboxaldehyde

C9H7NO2 (161.0476762)


4-Hydroxy-1H-indole-3-carbaldehyde is a plant metabolite found in Capparis spinosa L.. 4-Hydroxy-1H-indole-3-carbaldehyde can be used in the synthesis of fluorescent probe[1][2]. 4-Hydroxy-1H-indole-3-carbaldehyde is a plant metabolite found in Capparis spinosa L.. 4-Hydroxy-1H-indole-3-carbaldehyde can be used in the synthesis of fluorescent probe[1][2].

   

771-50-6

InChI=1\C9H7NO2\c11-9(12)7-5-10-8-4-2-1-3-6(7)8\h1-5,10H,(H,11,12

C9H7NO2 (161.0476762)


Indole-3-carboxylic acid is a normal urinary indolic tryptophan metabolite and has been found elevated in patients with liver diseases[1][2]. Indole-3-carboxylic acid is a normal urinary indolic tryptophan metabolite and has been found elevated in patients with liver diseases[1][2].

   

608-27-5

InChI=1\C6H5Cl2N\c7-4-2-1-3-5(9)6(4)8\h1-3H,9H

C6H5Cl2N (160.979903)


   

trans-S-(1-Propenyl)-L-cysteine

2-Amino-3-[(1Z)-prop-1-en-1-ylsulphanyl]propanoic acid

C6H11NO2S (161.0510466)


Trans-s-(1-propenyl)-l-cysteine belongs to cysteine 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. Trans-s-(1-propenyl)-l-cysteine is soluble (in water) and a moderately acidic compound (based on its pKa). Trans-s-(1-propenyl)-l-cysteine can be found in onion-family vegetables, which makes trans-s-(1-propenyl)-l-cysteine a potential biomarker for the consumption of this food product. trans-S-(1-Propenyl)-L-cysteine is found in onion-family vegetables. trans-S-(1-Propenyl)-L-cysteine is a constituent of garlic S-1-Propenyl-L-cysteine is a stereoisomer of S-allyl-l-cysteine, extracted from garlic, with immunomodulatory effects and reduces blood pressure in a hypertensive animal model[1]. S-1-Propenyl-L-cysteine exhibits antioxidative efficacy through a NO-dependent BACH1 signaling pathway[2]. S-1-Propenyl-L-cysteine is orally active. S-1-Propenyl-L-cysteine is a stereoisomer of S-allyl-l-cysteine, extracted from garlic, with immunomodulatory effects and reduces blood pressure in a hypertensive animal model[1].

   

(2S)-2-amino-4-hydroxypentanedioate

(2S)-2-amino-4-hydroxypentanedioate

C5H7NO5-2 (161.0324212)


   

2-dehydro-3-deoxy-L-rhamnonate

2-dehydro-3-deoxy-L-rhamnonate

C6H9O5- (161.0449964)


   

1-Hydroxy-5-(methylthio)-3-oxopent-1-en-2-olate

1-Hydroxy-5-(methylthio)-3-oxopent-1-en-2-olate

C6H9O3S- (161.02723840000002)


   

(2R)-2-azaniumyl-3-[(prop-2-en-1-yl)sulfanyl]propanoate

(2R)-2-azaniumyl-3-[(prop-2-en-1-yl)sulfanyl]propanoate

C6H11NO2S (161.0510466)


   
   

2-Dehydro-3-deoxy-L-fuconate

2-Dehydro-3-deoxy-L-fuconate

C6H9O5- (161.0449964)


   

6-Chloropyridine-2,3,5-triol

6-Chloropyridine-2,3,5-triol

C5H4ClNO3 (160.9879704)


A hydroxypyridine that is pyridine substituted by hydroxy groups at positions 2,3 and 5 and a chloro group at position 6. It is a metabolite of the agrochemical chlorpyrifos.

   

S-trans-1-propenyl-L-cysteine

S-trans-1-propenyl-L-cysteine

C6H11NO2S (161.0510466)


   

3-Chloro-6-fluoro-2-hydroxyphenolate

3-Chloro-6-fluoro-2-hydroxyphenolate

C6H3ClFO2- (160.98056)


   

2-Amino-4-oxopentanedioic acid

2-Amino-4-oxopentanedioic acid

C5H7NO5 (161.0324212)


   

N-Ethyl-N-nitro-N-nitrosoguanidine

N-Ethyl-N-nitro-N-nitrosoguanidine

C3H7N5O3 (161.0548872)


D009676 - Noxae > D009153 - Mutagens > D009604 - Nitrosoguanidines D009676 - Noxae > D002273 - Carcinogens

   

N-Acetylthioglycine S-ethyl ester

N-Acetylthioglycine S-ethyl ester

C6H11NO2S (161.0510466)


   

2-Amino-3-oxaldehydoyloxypropanoic acid

2-Amino-3-oxaldehydoyloxypropanoic acid

C5H7NO5 (161.0324212)


   

4-Hydroxycoumarin(1-)

4-Hydroxycoumarin(1-)

C9H5O3- (161.023868)


   

2-Dehydro-3-deoxy-D-fuconate

2-Dehydro-3-deoxy-D-fuconate

C6H9O5- (161.0449964)


   

allyl cysteine

allyl cysteine

C6H11NO2S (161.0510466)


D000970 - Antineoplastic Agents

   

3-Hydroxy-3-methylglutarate(1-)

3-Hydroxy-3-methylglutarate(1-)

C6H9O5- (161.0449964)


A dicarboxylic acid monoanion resulting from the removal of a proton from one of the carboxylic acid groups of 3-hydroxy-3-methylglutaric acid.

   

4-Hydroxy-2-oxoglutarate(1-)

4-Hydroxy-2-oxoglutarate(1-)

C5H5O6- (161.00861300000003)


A dicarboxylic acid monoanion that is the conjugate base of 4-hydroxy-2-oxoglutaric acid resulting from partial deprotonation. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   
   

(2S)-2-amino-3-hydroxypentanedioate

(2S)-2-amino-3-hydroxypentanedioate

C5H7NO5-2 (161.0324212)


   
   

2-Cyano-5-methoxytropone

2-Cyano-5-methoxytropone

C9H7NO2 (161.0476762)


   

5-Cyano-2-methoxytropone

5-Cyano-2-methoxytropone

C9H7NO2 (161.0476762)


   

4,6-Quinolinediol

4,6-Dihydroxyquinoline

C9H7NO2 (161.0476762)


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

   

For-Asp-OH

N-Formyl-L-aspartic acid

C5H7NO5 (161.0324212)


A N-formyl amino acid that is the N-formyl-derivative of L-aspartic acid.

   

N-(2-Hydroxyethyl)-3-methylthiopropenamide

N-(2-Hydroxyethyl)-3-methylthiopropenamide

C6H11NO2S (161.0510466)


   

4,8-Quinolinediol

hydroxy-8 dihydro-1,4 quinolone-4

C9H7NO2 (161.0476762)


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

   

2,4-Quinolinediol

4-Hydroxyquinolin-2(1H)-one

C9H7NO2 (161.0476762)


   

S-allylcysteine zwitterion

S-allylcysteine zwitterion

C6H11NO2S (161.0510466)


An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of S-allylcysteine. Major species at pH 7.3.

   

2,4-DCA

2,4-DICHLOROANILINE

C6H5Cl2N (160.979903)


   

2,3-Dichloroaniline

2,3-Dichloroaniline

C6H5Cl2N (160.979903)


   

6-hydroxy-1H-indole-3-carbaldehyde

6-hydroxy-1H-indole-3-carbaldehyde

C9H7NO2 (161.0476762)


   

4-(Methylthio)butyl thiocyanate

4-(Methylthio)butyl thiocyanate

C6H11NS2 (161.0332886)


   

4-trifluoromethylaniline

4-trifluoromethylaniline

C7H6F3N (161.0452312)


A substituted aniline that is a benzene ring substituted with an amino group at position 1 and a trifluoromethyl group at position 4.

   

4-hydroxy-L-glutamate(2-)

4-hydroxy-L-glutamate(2-)

C5H7NO5 (161.0324212)


A doubly-charged L-alpha-amino acid anion resulting from deprotonation of both carboxy groups of 4-hydroxy-L-glutamic acid.

   

3-hydroxy-L-glutamate(2-)

3-hydroxy-L-glutamate(2-)

C5H7NO5 (161.0324212)


A doubly-charged L-alpha-amino acid anion resulting from deprotonation of both carboxy groups of 3-hydroxy-L-glutamic acid.

   

Quinoline-4,6-diol

Quinoline-4,6-diol

C9H7NO2 (161.0476762)


Quinoline substituted by hydroxy groups at the 4- and 6-positions. It is the product of 5-hydroxytryptophan metabolism, via monoamine oxidase catalysed conversion of 5-hydroxykynurenamine.

   
   

N-Formyl-aspartic acid

N-Formyl-aspartic acid

C5H7NO5 (161.0324212)


   

Isoquinoline-1,5-diol

Isoquinoline-1,5-diol

C9H7NO2 (161.0476762)


   

Dihydroxyquinoline

Dihydroxyquinoline

C9H7NO2 (161.0476762)


   

Quinoline-2,8-diol

Quinoline-2,8-diol

C9H7NO2 (161.0476762)