Exact Mass: 187.0746

trans-3-Indoleacrylic acid is an endogenous metabolite.

6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine

6-chloro-N-(1-Methylethyl)-1,3,5-triazine-2,4-diamine, 9ci

C6H10ClN5 (187.0625)

CONFIDENCE standard compound; INTERNAL_ID 1296; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7123; ORIGINAL_PRECURSOR_SCAN_NO 7121 CONFIDENCE standard compound; INTERNAL_ID 1296; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7114; ORIGINAL_PRECURSOR_SCAN_NO 7112 CONFIDENCE standard compound; INTERNAL_ID 1296; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7136; ORIGINAL_PRECURSOR_SCAN_NO 7132 CONFIDENCE standard compound; INTERNAL_ID 1296; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7127; ORIGINAL_PRECURSOR_SCAN_NO 7125 CONFIDENCE standard compound; INTERNAL_ID 1296; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7139; ORIGINAL_PRECURSOR_SCAN_NO 7137 CONFIDENCE standard compound; INTERNAL_ID 1296; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7129; ORIGINAL_PRECURSOR_SCAN_NO 7127 6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine is a major soil metabolite of Atrazine DKW85-F. Environmental pollutant of soil and water. Major soil metabolite of Atrazine DKW85-F. Environmental pollutant of soil and water. CONFIDENCE standard compound; EAWAG_UCHEM_ID 309 CONFIDENCE standard compound; INTERNAL_ID 4025 INTERNAL_ID 3016; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 8408 CONFIDENCE standard compound; INTERNAL_ID 3016 CONFIDENCE standard compound; INTERNAL_ID 2537

Ordram

MOLINATE

D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D009676 - Noxae > D000988 - Antispermatogenic Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3714 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals

3-Hydroxy-butanoyl-DL-homoserine lactone

N-(3S-hydroxy-butanoyl)-homoserine lactone

2-(Acetamidomethylidene)succinic acid

Butanedioic acid, [(acetylamino)methylene]-

6-Acetamido-3-oxohexanoate

6-acetamido-3-oxohexanoic acid

2-Keto-6-acetamidocaproate

2-Keto-6-acetamidohexanoic acid

2-Keto-6-acetamidocaproate is an intermediate in lysine degradation. It can be generated from N6-acetyl-L-lysine. N-acetyl-lysine is an acetylated amino acid. Post-translational lysine-acetylation is one of two major modifications of lysine residues in various proteins. Acetylation of specific lysine residues in the N-terminal domains of core histones is a biochemical marker of active genes. Acetylation is now known to play a major role in eukaryotic transcription. Specifically, acetyltransferase enzymes that act on particular lysine side chains of histones and other proteins are intimately involved in transcriptional activation. N6-acetyl-L-lysine can be converted to 2-Keto-6-acetamidocaproate via the enzyme N6-acetyllysine aminotransferase and then 2-keto-6-acetamidocaproate can be reduced enzymatically to 5-acetamidovalerate. [HMDB] 2-Keto-6-acetamidocaproate is an intermediate in lysine degradation. It can be generated from N6-acetyl-L-lysine. N-acetyl-lysine is an acetylated amino acid. Post-translational lysine-acetylation is one of two major modifications of lysine residues in various proteins. Acetylation of specific lysine residues in the N-terminal domains of core histones is a biochemical marker of active genes. Acetylation is now known to play a major role in eukaryotic transcription. Specifically, acetyltransferase enzymes that act on particular lysine side chains of histones and other proteins are intimately involved in transcriptional activation. N6-acetyl-L-lysine can be converted to 2-Keto-6-acetamidocaproate via the enzyme N6-acetyllysine aminotransferase and then 2-keto-6-acetamidocaproate can be reduced enzymatically to 5-acetamidovalerate.

N2-Acetyl-L-aminoadipate semialdehyde

5-Guanidino-3-methyl-2-oxopentanoic acid

SCHEMBL16620138

(2S,4S)-4-hydroxy-2,3,4,5-tetrahydropyridine-2,6-dicarboxylic acid

Amrinone

3-amino-5-(pyridin-4-yl)-1,2-dihydropyridin-2-one

Amrinone is only found in individuals that have used or taken this drug. It is a type 3 pyridine phosphodiesterase inhibitor. It is used in the treatment of congestive heart failure.Amrinone is a phosphodiesterase inhibitor (PDE3), resulting in increased cAMP and cGMP which leads to an increase in the calcium influx like that caused by beta-agonists resulting in increased inotropic effect.

Amrinone

C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CE - Phosphodiesterase inhibitors D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D020011 - Protective Agents > D002316 - Cardiotonic Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators

3-Hydroxy-C4-HSL

4-Fluoro-4-biphenylamine

Methyl 2-quinolinecarboxylate

Methyl quinoline-2-carboxylate

Indoleacrylic acid

(2E)-3-(1H-indol-3-yl)prop-2-enoic acid

Indoleacrylic acid (CAS: 1204-06-4), also known as indoleacrylate, IA, and IAcrA, is a member of the class of compounds known as indoles. Indoles are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. Indoleacrylic acid is practically insoluble (in water) and a weak acidic compound (based on its pKa). Within the cell, indoleacrylic acid is primarily located in the membrane (predicted from logP). Indoleacrylic acid is best known as a plant growth hormone (a natural auxin), whereas its biological role in animals is still unknown. A two-stage production of this compound is likely: intestinal microorganisms catabolize tryptophan to indole derivatives which are then absorbed and converted into indoleacrylic acid and its glycine conjugate, indolylacryloylglycine (IAcrGly). Indolylacryloylglycine excretion in urine is especially pronounced in some myopathies, namely in boys with Duchenne muscular dystrophy (PMID: 10707769). It has been recently found that indoleacrylic acid promotes intestinal epithelial barrier function and mitigates inflammatory responses. Stimulating indoleacrylic acid production could promote anti-inflammatory responses and have therapeutic benefits (PMID: 28704649). Urinary Indole-3-acrylate is produced by Clostridium sporogenes (PMID: 29168502). Indoleacrylic acid is also a metabolite of Peptostreptococcus (PMID: 28704649, 29168502). trans-3-Indoleacrylic acid is an endogenous metabolite.

1-(Malonylamino)cyclopropanecarboxylic acid

1-[(2-Carboxy-1-hydroxyethylidene)amino]cyclopropane-1-carboxylate

1-(Malonylamino)cyclopropanecarboxylic acid is found in cereals and cereal products. 1-(Malonylamino)cyclopropanecarboxylic acid is a constituent of numerous plant species including wheat, tomato and sweet corn Constituent of numerous plant subspecies including wheat, tomato and sweet corn. 1-(Malonylamino)cyclopropanecarboxylic acid is found in cereals and cereal products and garden tomato.

2,3-Dihydro-5-(5-methyl-2-furanyl)-1H-pyrrolizine

5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine

Proline-derived Maillard product. Proline-derived Maillard product

Desmethylmisonidazole

3-(2-nitro-1H-imidazol-1-yl)propane-1,2-diol

1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole

2-[2-(hydroxymethyl)-5-nitro-1H-imidazol-1-yl]ethan-1-ol

6-Fluoropyridoxol

6-fluoro-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol

C8H10FNO3 (187.0645)

6-Guanidino-2-oxocaproic acid

6-[(diaminomethylidene)amino]-2-oxohexanoic acid

alpha-Monofluoromethyl histidine

2-azaniumyl-3-fluoro-2-[(1H-imidazol-5-yl)methyl]propanoate

Fluoromethylhistidine

2-[(fluoromethyl)amino]-3-(3H-imidazol-4-yl)propanoic acid

Makaluvamine I

D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D004791 - Enzyme Inhibitors

Caulibugulone E

N-Methylquinolinium-2-carboxylate

3-Indoleacrylic acid

Indole-3-acrylic acid

trans-3-Indoleacrylic acid is an endogenous metabolite.

metamitron-desamino

3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one

A member of the class of 1,2,4-triazines that is metamitron in which the amino group has been replaced by a hydrogen atom. It is a metabolite of metamitron. CONFIDENCE standard compound; EAWAG_UCHEM_ID 4 EAWAG_UCHEM_ID 4; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 2064

3-AMINO-2-NAPHTHOIC ACID

Metronidazole-OH

Benzoguanamine

6-Phenyl-1,3,5-triazine-2,4-diamine

CONFIDENCE standard compound; INTERNAL_ID 1063; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5539; ORIGINAL_PRECURSOR_SCAN_NO 5538 CONFIDENCE standard compound; INTERNAL_ID 1063; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5533; ORIGINAL_PRECURSOR_SCAN_NO 5532 CONFIDENCE standard compound; INTERNAL_ID 1063; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5545; ORIGINAL_PRECURSOR_SCAN_NO 5543 CONFIDENCE standard compound; INTERNAL_ID 1063; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5573; ORIGINAL_PRECURSOR_SCAN_NO 5572 CONFIDENCE standard compound; INTERNAL_ID 1063; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5582; ORIGINAL_PRECURSOR_SCAN_NO 5577 CONFIDENCE standard compound; INTERNAL_ID 1063; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5569; ORIGINAL_PRECURSOR_SCAN_NO 5568

2-(dimethylaminomethylidene)-3H-inden-1-one

Pyrimido[1,2-a]purin-10(1H)-one

C8H5N5O (187.0494)

8-methanesulfinyloctanenitrile

Annotation level-3

4-methylquinazoline-2-carboxamide

3-Methylquinoline-4-carboxylic acid

9,9a-dihydro-naphtho[2,3-c]isoxazol-3(1H)-one|naphthisoxazol A

DTXSID50875725

1-Acetylindole-3-carboxaldehyde

1-Acetyl-1H-indole-3-carbaldehyde

An N-acylindole that is N-acetylindole carrying an additional formyl substituent at position 3.

C8H13NO4

2-ethyl-1-methyl-1h-quinolin-4-one

4-Methyl-[1,2]naphthochinon-2-oxim|4-methyl-[1,2]naphthoquinone-2-oxime

2-methyl-4-nitrosonaphthalen-1-ol

diethyl aziridine-2,3-dicarboxylate

2-propylquinolin-4-ol

1-(1-Hydroxyethyl)-4-isocyano-4-cyclopentene-1,2,3-triol

N-(6-phenylhexa-3,5-dien-2-ylidene)hydroxylamine

5-Methyl-2-nitroso-[1]naphthol

N-(2-oxothiolan-3-yl)butanamide

1-methylquinolin-1-ium-2-carboxylate

5-acetamido-4-oxohexanoic acid

NCGC00381347-01!5-acetamido-4-oxohexanoic acid

Indoleacrylic acid

3-Indoleacrylic acid

trans-3-Indoleacrylic acid is an endogenous metabolite.

HBHSL

3-hydroxy-C4-homoserine lactone

CONFIDENCE standard compound; INTERNAL_ID 213

Metamitron desamino

3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one

CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 82

4-Fluoro-4-aminodiphenyl

CONFIDENCE standard compound; INTERNAL_ID 1012; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7728; ORIGINAL_PRECURSOR_SCAN_NO 7723 CONFIDENCE standard compound; INTERNAL_ID 1012; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7766; ORIGINAL_PRECURSOR_SCAN_NO 7763

m1g

C8H5N5O (187.0494)

consensus spectrum

3-Indoleacrylic acid; AIF; CE0; CorrDec

3-Indoleacrylic acid; AIF; CE10; CorrDec

3-Indoleacrylic acid; AIF; CE30; CorrDec

3-Indoleacrylic acid; AIF; CE0; MS2Dec

3-Indoleacrylic acid; AIF; CE10; MS2Dec

3-Indoleacrylic acid; AIF; CE30; MS2Dec

3-Indoleacrylic acid [M+H-H2O]+; AIF: CE0; MS2Dec

3-Indoleacrylic acid [M+H-H2O]+; AIF: CE10; MS2Dec

3-Indoleacrylic acid [M+H-H2O]+; AIF: CE30; MS2Dec

3-Indoleacrylic acid; AIF: CE0; MS2Dec

3-Indoleacrylic acid; AIF: CE10; MS2Dec

3-Indoleacrylic acid; AIF: CE30; MS2Dec

3-Indoleacrylic acid; LC-tDDA; CE10

3-Indoleacrylic acid; LC-tDDA; CE20

3-Indoleacrylic acid; LC-tDDA; CE30

3-Indoleacrylic acid; LC-tDDA; CE40

1,N2-Malondialdehyde-guanine

C8H5N5O1 (187.0494)

1-Mtheyl-guanine

C8H5N5O1 (187.0494)

dimethyl (R)-pyrrolidine-1,2-dicarboxylate

N-butyryl-L-Homocysteine thiolactone

N-[(3S)-tetrahydro-2-oxo-3-thienyl]-butanamide

1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole

Macpca

1-((Carboxyacetyl)amino)-cyclopropanecarboxylic acid

5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine

3-hydroxy-C4:0-HSL

N-(3-hydroxy-butanoyl)-homoserine lactone

2-PHENOXY-N-METHYLETHYLAMINEHYDROCHLORIDE

4-(PYRIDIN-2-YLOXY)PHENOL

3-Hydrazinylpiperidine dihydrochloride

C5H15Cl2N3 (187.0643)

2,3,4,9-tetrahydro-1H-carbazol-1-ol

Boronic acid, (5-amino-1-naphthalenyl)- (9CI)

2-BENZOYLVALERONITRILE

2-Methylquinoline-6-carboxylicacid

5-methyl-2-phenyl-1,3-oxazole-4-carbaldehyde

4-Fluoro-3-biphenylamine

2-(2-methylphenyl)-1,3-oxazole-4-carbaldehyde

2,7,8-trimethylquinolin-4-ol

1-Allyl-1H-indole-2,3-dione

1-PHENYLPIPERAZIN-2-ONE

4-Methylquinoline-2-carboxylic acid

p Tolylmaleimide

6-methoxyquinoline-3-carbaldehyde

6-Methylquinoline-3-carboxylic acid

4,5,6,7-TETRAHYDRO-7,7-DIMETHYL-1H-PYRAZOLO[4,3-C]PYRIDINEHYDROCHLORIDE

C8H14ClN3 (187.0876)

2(1H)-Quinolinone, 4,6,8-trimethyl-

1-(1-ETHYL-1H-INDOL-3-YL)ETHANONE

1-(4-METHOXYPHENYL)CYCLOBUTANECARBONITRILE

2,3,4,9-Tetrahydro-1H-carbazol-3-ol

(5-(CYCLOPROPYLETHYNYL)PYRIDIN-3-YL)BORONIC ACID

2-METHYL-INDOLIZINE-1,3-DICARBALDEHYDE

Pyrimido[1,2-a]benzimidazol-2(1H)-one, 3,4-dihydro- (8CI,9CI)

5-(6-Methoxy-3-pyridinyl)pyrimidine

2-Furancarboxamide,N-phenyl-

3-methyl-1-phenylpyrrole-2,5-dione

(S)-N-BOC-AZIRIDINE-2-CARBOXYLIC ACID

4-(4-Morpholinyl)-4-oxobutanoic acid

N-quinoxalin-2-ylacetamide

3-(1h-pyrrol-1-yl)benzoic acid

4-HYDROXY-1,2,3,4-TETRAHYDROCARBAZOLE

2-phenylmethoxyethanamine,hydrochloride

L-Glutamic acid monosodium salt monohydrate

C5H10NNaO5 (187.0457)

D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents

Methyl quinoline-6-carboxylate

(2-METHYL-CYCLOPENTYL)-ACETICACID

methyl l-2-isothiocyanato-4-methylvalerate

8-Methyl-2-Oxo-1,2-Dihydro-Quinoline-3-Carbaldehyde

4-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BENZALDEHYDE

2,2,4-Trimethyl-6(2H)-quinolone

Benzenemethanamine, 4-(difluoromethoxy)-α-methyl-, (αR)-

2-P-TOLYL-OXAZOLE-4-CARBALDEHYDE

Ethyl (4-hydroxy-2-oxo-1-pyrrolidinyl)acetate

4-methoxypyridine-2-carboximidamide,hydrochloride

6-methoxypyridine-2-carboximidamide,hydrochloride

3-MethoxypicoliniMidaMide hydrochloride

5-Methoxypicolinimidamide hydrochloride

6-Methoxynicotinimidamide hydrochloride

6-METHYL-2-(PYRIDIN-4-YL)PYRIMIDIN-4(3H)-ONE

6-AMINO-2-NAPHTHOIC ACID

methyl 5-acetamido-4-oxopentanoate

8-Ethyl-4-hydroxy-2-methylquinoline

4-Methoxy-N-methylbenzylamine hydrochloride

3-Aminomethylphenylboronic acid hydrochloride

5-(Trifluoromethyl)indoline

4-(2-Fluoro-1-fluoromethyl-ethoxy)-aniline

Cyclopropanamine, 1-(4-fluorophenyl)-, hydrochloride

2-methylquinoline-8-carboxylic acid

4-(methylamino)quinazoline-6-carbaldehyde

3-amino-5-phenyl-1H-pyrazin-2-one

5-methyl-7H-furo[2,3-f]indol-6-one

4-Amino-1-naphthoic acid

6-ethoxy-4-methylquinoline

6-(trifluoromethyl)indoline

4-(Trifluoromethyl)-2,3-dihydro-1H-indole

6-Fluoro-1,2,3,4-tetrahydro-isoquinoline hydrochloride

2-(1,2,4-triazol-1-ylmethyl)benzaldehyde

FURAN-2-YLMETHYL-P-TOTYL-AMINE

2-(1H-Pyrrol-1-yl)benzoic acid

6-ethoxyquinaldine

Propanenitrile,3-(diethoxymethylsilyl)-

C8H17NO2Si (187.1029)

1-BENZYL-3,4-DIHYDRO-1H-PYRIDIN-2-ONE

2-(3-methylphenyl)-1,3-oxazole-4-carbaldehyde

Methyl 5-quinolinecarboxylate

2-(QUINOLIN-7-YL)ACETIC ACID

METHYL 2-METHOXY-6-(METHYLAMINO)NICOTINATE

Hydrazinecarboxamide,N-phenyl-, hydrochloride (1:1)

5-Phenyl-1H-pyrrole-2-carboxylic acid

Halostachine HCI

(R)-1-(4-Methoxyphenyl)ethanamine hydrochloride

(S)-1-(4-METHOXYPHENYL)ETHANAMINE HYDROCHLORIDE

2-Amino-2-(2-naphthyl)ethanol

3-(4-AMINOPHENYL)PROPAN-1-OL HYDROCHLORIDE

6-((1H-IMIDAZOL-1-YL)METHYL)PICOLINALDEHYDE

Methyl quinoline-7-carboxylate

ETHANONE, 1-PHENYL-2-(1H-1,2,4-TRIAZOL-1-YL)-

1H-Imidazole-4-carboxylicacid,2-amino-4,5-dihydro-4-hydroxy-5-oxo-,ethyl

2-(2-NAPHTHYLOXY)ETHANAMINE

5-Fluoro-1,2,3,4-tetrahydro-isoquinoline hydrochloride

6-fluoro-2,3-dihydro-1H-inden-1-amine,hydrochloride

7-Fluoro-1,2,3,4-tetrahydro-isoquinoline hydrochloride

(E)-Methyl 2-Cyano-3-phenyl-2-propenoate

1H-Pyrazole-3-carboxamide, 5-phenyl

Methyl isoquinoline-3-carboxylate

1-(2-phenyl-1,3-oxazol-5-yl)ethanone

Methyl .alpha.-cyanocinnamate

1-(3-METHOXYPHENYL)CYCLOBUTANECARBONITRILE

7-Propyl-8-quinolinol

2-Amino-6-phenylpyrimidin-4(3H)-one

Benzeneethanamine,3-methoxy-, hydrochloride (1:1)

Pyrido[4,3:4,5]pyrrolo[1,2-a]pyrazin-1(2H)-one, 3,4-dihydro- (9CI)

2-[(6-chloro-2-methyl-4-pyrimidinyl)amino]-1-ethanol

2-isoquinolin-1-ylacetic acid

6,7,8,9-TETRAHYDRO-DIBENZOFURAN-2-YLAMINE

Benzeneethanamine, beta-methoxy-, hydrochloride

1,3-Pyrrolidinedicarboxylic acid,2-methyl-4-oxo-

2-(QUINOLIN-8-YL)ACETIC ACID

Nafomine

8-methylquinoline-4-carboxylic acid

3-anilinocyclohex-2-en-1-one

N-(2-Chloro-6-fluorobenzyl)ethanamine

N-[4-(2-FURYL)BENZYL]-N-METHYLAMINE

Pyrrolidine-1,2-dicarboxylic acid 1-ethyl ester

N-(1-NAPHTHALEN-2-YL-ETHYL)-HYDROXYLAMINE

N-(1-NAPHTHALEN-1-YL-ETHYL)-HYDROXYLAMINE

4-[2-(Methylamino)ethyl]phenol hydrochloride

2-amino-1-(1-naphthyl)ethanol

2-amino-1-naphthalen-2-ylethanol

5-(4-METHYLPHENYL)ISOXAZOLE-3-CARBOXALD&

Phenethylamine, p-methoxy-, hydrochloride

3-(3-CYANO-PHENYL)-ACRYLIC ACID METHYL ESTER

Amanozine

C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic

N-(3-Furylmethyl)benzylamine

6-(CHLOROMETHYL)-N,N-DIMETHYL-1,3,5-TRIAZINE-2,4-DIAMINE

C6H10ClN5 (187.0625)

2-(4-fluorophenyl)-3-methylpyridine

2-(4-FLUORO-PHENYL)-4-METHYL-PYRIDINE

2-methyl-5-phenyl-1,2,4-triazole-3-carbaldehyde

QUINOLINE-5-CARBOXYLIC ACID HYDRAZIDE

2-cyano-3-(4-methylphenyl)acrylic acid

trimethyl-(1,1,2,2-tetradeuterio-2-hydroxyethyl)azanium,bromide

C5H10BrD4NO (187.051)

bis(2-chloroethyl)-d8-amine hcl

C4Cl3D10N (187.0507)

8-METHYL-QUINOLINE-3-CARBOXYLIC ACID

7-Methoxy-2H-chromene-3-carbonitrile

2,3,4,9-Tetrahydro-1H-carbazol-7-ol

2-(4-fluorophenyl)-5-methylpyridine

2-(4-fluorophenyl)-6-methylpyridine

2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

3-Fluoro-4-biphenylamine

8-Quinolinyl acetate

poly(oxoaluminum 2-ethylhexanoate)

C8H16AlO3 (187.0915)

4-Fluoro-2-biphenylamine

2-Ethoxy-8-methylquinoline

2-Methoxy-6,8-dimethylquinoline

1-(4-Methoxyphenyl)ethylamine Hydrochloride

3-METHYL-5-PHENYL-4-ISOXAZOLECARBALDEHYDE

2-Amino-2-(1-naphthyl)ethano

(2Z)-3-Thiomorpholinylideneacetic acid ethyl ester

3-(2,5-dimethylpyrrol-1-yl)phenol

4-METHOXYNAPHTHALEN-1-YLMETHYLAMINE

1-o-tolyl-pyrrole-2,5-dione

2-Butanone,4-(1H-indol-3-yl)-

6-Methoxy-4-quinolinecarbaldehyde

4-Aminomethylphenylboronicacidhydrochloride

7-ACETYLBENZOFURAN

(3-AMINO-4-METHYLPHENYL)BORONIC ACID HYDROCHLORIDE

2-Hydroxy-3-naphtoamide

Quinacetol sulfate

1-(8-Hydroxyquinolin-5-yl)ethanone

(R)-1-Benzyl-3-Hydroxy Pyridine

4-(1-Aminopropan-2-yl)phenol hydrochloride

(2R,5S)-5-(METHOXYCARBONYL)PIPERIDINE-2-CARBOXYLIC ACID

2-Acetamido-1,5-naphthyridine

Benzenamine, 3-(pyrazinyloxy)- (9CI)

Methyl 4-quinolinecarboxylate

Quinolin-2-ylacetic acid

2-(1H-IMIDAZOL-1-YL)BENZENECARBOXAMIDE

1-(3-Fluorphenyl)cyclopropanaminhydrochlorid(1:1)

3-(O-TOLYL)ISOXAZOLE-5-CARBALDEHYDE

2-Methylquinoline-4-carboxylic acid

3-Methylquinoline-2-carboxylic acid

Desmethylmisonidazole

1,2-Propanediol,3-(2-nitro-1H-imidazol-1-yl)-

C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent D011838 - Radiation-Sensitizing Agents D009676 - Noxae > D009153 - Mutagens

1,2,6-TRIMETHYL-1H-INDOLE-3-CARBALDEHYDE

2-chloro-N-(1,3-dimethylpyrazol-4-yl)acetamide

1,2-Dihydro-7-Methyl-2-Oxo-3-Quinolinecarboxaldehyde

2-ISOPROPYL-1(2H)-ISOQUINOLINONE

7-Methyl-2-Quinolinecarboxylic Acid

4-fluoro-N-phenylaniline

2,4-Dihydroxy-5-phenylpyridine

ethyl 2-isothiocyanato-3-methyl-butanoate

1-Propyl-1H-indole-3-carbaldehyde

4-ISOPROPOXY-PHENYLAMINE HYDROCHLORIDE

2-chloro-N-(1,5-dimethylpyrazol-4-yl)acetamide

4-Quinolinylacetic acid

ETHYL 5-ETHOXY-4,5-DIHYDROISOXAZOLE-3-CARBOXYLATE

N2-(PYRIDIN-3-YL)PYRIMIDINE-2,5-DIAMINE

Methyl 6-isothiocyanatohexanoate

1-[4-(1H-1,2,4-TRIAZOL-1-YL)PHENYL]ETHANONE

2H-Pyran-4-carbonitrile,tetrahydro-4-phenyl-

ethyl 2-acetamido-3-oxo-butanoate

2,3,8-TRIMETHYLQUINOLIN-4-OL

1-(2-METHOXYPHENYL)- CYCLOBUTANECARBONITRILE

2(1H)-Quinolinone, 3-acetyl-

1-(2-BUTENOYL)-1H-BENZOTRIAZOLE

2-CHLORO-1-(1-ISOPROPYL-1H-1,2,4-TRIAZOL-5-YL)ETHANONE

2-(ISOQUINOLIN-7-YL)ACETIC ACID

1H-Indole-3-carboxaldehyde,7-ethyl-1-methyl-(9CI)

2-(Quinolin-6-yl)acetic acid

2-METHYL-2-NITROPROPYL METHACRYLATE

4-(4-PYRIDYL)-1-BUTANOL HYDROCHLORIDE

2-Methyl-3-quinolinecarboxylic acid

6-amino-2-phenyl-1H-pyrimidin-4-one

6-methoxyquinoline-8-carbaldehyde

2-(2-BENZOTHIAZOLYL)-6-METHYLPHENOL

isoquinoline-4-carbohydrazide

2-(1,3,2-Dioxaborinan-2-yl)benzonitrile

Benzamide,N-3-butynyl-N-methyl- (9CI)

5-FLUORO-1,2,3,4-TETRAHYDRO-QUINOLINE HYDROCHLORIDE

2-(ISOQUINOLIN-6-YL)ACETIC ACID

N-[3-(2-FURYL)BENZYL]-N-METHYLAMINE

isoquinoline-1-carbohydrazide

3-Benzyl-3-azabicyclo[3.1.0]hexan-2-one

6-Quinolinyl acetate

1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid

Diethyl (aminomethylene)malonate

3-fluoro-N-phenylaniline

(S)-(-)-(3-CHLORO-2-HYDROXYPROPYL)TRIMETHYLAMMONIUM CHLORIDE

C6H15Cl2NO (187.0531)

1H-Pyrrole-2,5-dione,1-(3-methylphenyl)-

ASISCHEM R03296

2,5,7-trimethylquinolin-8-ol

Methyl isoquinoline-4-carboxylate

3-Quinolinylacetic acid

1-BENZO[1,3]DIOXOL-5-YL-CYCLOPROPANECARBONITRILE

2,5,7-trimethyl-1H-quinolin-4-one

2,5,8-Trimethyl-4-quinolinol

AURORA 18595

2-Propyl-4-quinolinol

5(4H)-Oxazolone,2-methyl-4-(phenylmethylene)-

1-Benzylpyrrole-2,5-dione

2-(4-Methylphenoxy)ethanamine hydrochloride (1:1)

2-(3-Methylphenoxy)ethylamine

1-methyl-2-oxoquinoline-4-carbaldehyde

6-pyridin-3-yloxypyridin-3-amine

Splenopentin acetate salt

1-METHYL-2-OXO-1,2-DIHYDROQUINOLINE-3-CARBALDEHYDE

1H-Benzimidazole,2-(4,5-dihydro-2-oxazolyl)-(9CI)

4-PENTANOYL-BENZONITRILE

2-Dimethylaminomethyl-4,5-difluoro-phenol

7-methoxyquinoline-3-carbaldehyde

1-(3-Methoxyphenyl)ethylamine Hydrochloride

3-Ethyl-8-methoxyquinoline

2-amino-3-(2,4-difluorophenyl)propan-1-ol

4-METHYL-1-CYCLOHEXEN-1-YLBORONICACID

C7H13N3OS (187.0779)

N-[2-(2-FURYL)BENZYL]-N-METHYLAMINE

5-METHYL-3-PHENYL-4-ISOXAZOLECARBALDEHYDE

Tetrazolo[1,5-a]quinoxaline, 4,5-dihydro-6-methyl- (9CI)

1-(3-PHENYLISOXAZOL-5-YL)ETHANONE

DL-Norephedrine hydrochloride

1R,2S-(-)-Norephedrine hydrochloride

D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D019141 - Respiratory System Agents > D014663 - Nasal Decongestants D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D019440 - Anti-Obesity Agents > D001067 - Appetite Depressants

(2-methoxynaphthalen-1-yl)methanamine

4-hydrazinylbenzamide,hydrochloride

N-BUTYL-N-(2-METHOXYPHENYL)AMINE

TERT-BUTYL3-ISOTHIOCYANATOPROPIONATE

4-(3-methylpyrazin-2-yl)pyrimidin-2-amine

2-isopropyl quinazolin-4-ol

5,6,7,8-Tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one hydrochloride

Ethanone,1-(1,2-dimethyl-1H-indol-3-yl)-

(Z)-4-BENZYLIDENE-2-METHYLOXAZOL-5(4H)-ONE

1-Amino-2-naphthoic acid

quinoline-8-carbohydrazide

4-(1H-Pyrrol-1-yl)benzoic acid

2,3,6-Trimethylquinolin-4-ol

6-Methyl-2-oxo-1,2-dihydroquinoline-3-carbaldehyde

5-(Trifluoromethyl)isoindoline

Histamineα,α,β,β-d4 dihydrochloride

C5H7Cl2D4N3 (187.0581)

6-methoxy-2h-chromene-3-carbonitrile

1-Isopropyl-1H-indole-3-carbaldehyde

1-Amino-1,4-cyclohexanedicarboxylic acid

1H-Isoindole-1,3(2H)-dione,2-(2-propen-1-yl)-

6-ETHYL-2-METHYLQUINOLIN-4-OL

methyl quinoline-3-carboxylate

1-CYCLOHEPTEN-1-YL-BORONICACID

C7H13N3OS (187.0779)

1-(4-hydroxyphenyl)pyrrole-2-carbaldehyde

girard reagent p

4-METHOXY-7-METHYLINDANE-5-CARBONITRILE

(4-Carbamoylpiperazin-1-yl)acetic acid

3-Chloro-2-hydroxypropyltrimethylammonium chloride

C6H15Cl2NO (187.0531)

Tetrazine-Amine

(1R,2S)-2-(4-fluorophenyl)cyclopropan-1-amine hydrochloride

8-(2-Aminoethyl)-2-naphthol

2-Naphthalenol, 8-(2-aminoethyl)-

5-Amino-4-benzoylpyrazole

(E)-4-(piperidin-1-yl)but-2-enoyl chloride

β-Amino-γ,γ-difluoro-benzenepropanol

2-(3-fluorophenyl)cyclopropanamine hydrochloride

N-(2,2,2-Trifluoro-1-methylethylidene)benzenamine

(S)-1-(3-Methoxyphenyl)ethanamine hydrochloride

1-Amino-1-deoxy-L-arabinitol hydrochloride

C5H14ClNO4 (187.0611)

6-Methylquinoline-8-boronic acid

3-Methyl-6-phenyl-1,2,4-triazine 4-oxide

2-AMINO-6-ETHOXYNAPHTHALENE

4-methyl-2-phenyl-1,3-oxazole-5-carbaldehyde

D-(+)-Norephedrine hydrochloride

3-(4-aminophenyl)-1H-pyridazin-6-one

(4-(1-Cyanocyclopropyl)phenyl)boronic acid

3-(1-Cyanocyclopropyl)benzoic acid

5-Amino-1-naphthoic acid

(8-METHYLQUINOLIN-5-YL)BORONIC ACID

2-(1H-PYRAZOL-1-YL)BENZAMIDE

Tetrazolo[1,5-a]quinoxaline, 4,5-dihydro-5-methyl- (9CI)

Boc-L-Serine-beta-Lactone

3-Oxo-3-(4-propyl-phenyl)-propionitrile

6-pyridin-2-ylmethyl-pyridazin-3-ol

6-ISOPROPYLQUINOLIN-4-OL

4-(2-PYRIMIDINYLOXY)ANILINE

4-chloro-6-methoxy-N,N-dimethylpyrimidin-2-amine

3-Methyl-1-nitronaphthalene

1-Naphthalenamine,2-ethoxy-

5-Ethyl-2-methyl-1H-indole-3-carbaldehyde

4-(2-oxoimidazolidin-1-yl)benzonitrile

1,3,5-Triazino[1,2-a]benzimidazol-2-amine,1,4-dihydro-(9CI)

(1-METHYL-1H-1,2,3-BENZOTRIAZOL-5-YL)METHANOL

5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(4aH)-one hydrochloride

(E)-METHYL 3-(4-CYANOPHENYL)ACRYLATE

Piperidine,4-(1H-pyrazol-4-yl)-, hydrochloride (1:2)

C8H14ClN3 (187.0876)

2-Methyl-2-propanyl 2-(hydroxyimino)-3-oxobutanoate

1-AMINO-8-NAPHTHOIC ACID

3-Methyl-6-isoquinolinecarboxylic acid

4-(ALLYLOXY)-3,5-DIMETHYLBENZONITRILE

3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BENZALDEHYDE

1-BENZYL-5,6-DIHYDROPYRIDIN-2(1H)-ONE

8-methoxyquinoline-2-carbaldehyde

6-METHYL-1,2,3,4-TETRAHYDRO-BENZOFURO[2,3-C]PYRIDINE

ammonium urate

C5H9N5O3 (187.0705)

(2E)-3-(1H-Indol-7-yl)acrylic acid

benzyl-furan-2-ylmethyl-amine

N-(2,2,2-TRIFLUOROETHYLIDENE)BENZYLAMINE

2-Methyl-1-nitronaphthalene

1-Naphthohydroxamic acid

3-(M-TOLYL)ISOXAZOLE-5-CARBALDEHYDE

1-METHYL-4-NITRONAPHTHALENE

4-phenyl-1h-pyrrole-3-carboxylic acid

Methyl (2E)-3-(4-cyanophenyl)acrylate

(R)-tert-Butyl (2-oxooxetan-3-yl)carbamate

8-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLINE HCL

Methyl 8-isoquinolinecarboxylate

6-Isoquinolinecarboxylic acid methyl ester

3-Azabicyclo[3.1.0]hexane-2,4-dione, 1-phenyl-

2-AMINO-1-(M-TOLYL)ETHANOL HYDROCHLORIDE

(S)-1-(2-methoxyphenyl)ethanamine hydrochloride

ISOQUINOLINE-1-CARBOXYLIC ACID METHYL ESTER

4-(TRIFLUOROMETHYL)ISOINDOLINE

(R)-1-(3-METHOXYPHENYL)ETHYLAMINE-HCl

N-phenyl-1H-pyrazole-3-carboxamide

Cathine hydrochloride

D019440 - Anti-Obesity Agents > D001067 - Appetite Depressants

1-Amino-1,3-cyclohexanedicarboxylic acid

alpha-Fluoromethylhistidine

D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents D004791 - Enzyme Inhibitors

alpha-Monofluoromethylhistidine

D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents D004791 - Enzyme Inhibitors

(1R,4R,5S,6R)-4-Amino-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid

LY379268 is a potent, selective and brain-penetrant mGlu2/3R agonist with EC50 values of 2.69 nM (mGlu2) and 4.48 nM (mGlu3). LY379268 has no activity on human mGlu 1a, 4a, 5a or 7a receptors. LY379268 has antioxidant and neuroprotective effects[1][2].

6-Fluoronorepinephrine

C8H10FNO3 (187.0645)

2-[(Dimethylamino)methylene]indan-1-one

(2E)-3-(1H-indol-2-yl)prop-2-enoic acid

(2Z)-2-[(dimethylamino)methylene]indan-1-one

(3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetonitrile

(R)-Dimethyl pyrrolidine-1,2-dicarboxylate

4-Benzyl-3,5-dimethylisoxazole

5-Hydroxy-N-propargyl-1(R)-aminoindan

l-2-Amino-6-methylene-pimelic acid

4-Hydroxy-N-propargyl-1(R)-aminoindan

2,3-Dihydro-5-(5-methyl-2-furanyl)-1H-pyrrolizine

5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine

Proline-derived Maillard product. Proline-derived Maillard product

N-acetyl-L-glutamate(2-)

C7H9NO5-2 (187.0481)

N-acetyl-6-oxo-L-norleucine

5-Guanidino-3-methyl-2-oxopentanoate

Histidine, alpha-(fluoromethyl)-

(3R)-3-Hydroxy-N-[(3S)-2-oxooxolan-3-yl]butanamide

1-Amino-1,3-dicarboxycyclohexan

(E)-2-(Acetylaminomethylene)succinic acid

3-(1H-indol-3-yl)propanoate cation radical

C11H9NO2- (187.0633)

(2S,5S)-5-(2-carboxyethyl)pyrrolidine-2-carboxylic acid

alpha-Monofluoromethyl histidine

CID 157010241

C7H9NO5- (187.0481)

1-Cyano-8-(methylsulfinyl)heptane

A member of the class of aliphatic nitriles that is octanenitrile in which one of the methyl hydrogens at position 8 has been replaced by a methylsulfinyl group.

Cyclopent[f]indole-2,3-dione, 1,5,6,7-tetrahydro-

(2S)-2-acetamido-5-amino-5-oxopentanoate

C7H11N2O4- (187.0719)

Streptazone E

A member of the class of cyclopentapyridines that is 2,3,4,5-tetrahydro-1H-cyclopenta[b]pyridine substituted by an oxo group at position 4 and by a (2E)-but-2-en-1-ylidene group at position 5. It is a polyketide natural product found in Streptomyces sp.

n-Acetyl-d-glutamate

C7H9NO5-2 (187.0481)

N-acetyl-D-glutaminate

C7H11N2O4- (187.0719)

The conjugate base of N(2)-acetyl-D-glutamine; major species at pH 7.3.

N-(3-(S)-Hydroxybutyryl)homoserine lactone

5-[[Amino(methylazaniumylidene)methyl]amino]-2-oxopentanoate

5-[(N-methylcarbamimidoyl)amino]-2-oxopentanoic acid

(2E)-2-[[formyl(methyl)amino]methylidene]butanedioic acid

N-(3-Trifluoromethylbenzylidene)methylamine

L-Proline, trimethylsilyl ester

C8H17NO2Si (187.1029)

Triacetylethanolamine

5-Acetamido-4-oxohexanoic acid

4-Acetyl-4,5-dihydro-2-phenyl-3H-pyrrole

Deethylatrazine

C6H10ClN5 (187.0625)

A chloro-1,3,5-triazine that is 6-chloro-1,3,5-triazine-2,4-diamine in which one of the hydrogens of the amino group is replaced by a propan-2-yl group.

6-acetamido-2-oxohexanoic acid

A member of the class of acetamides that is the acetyl derivative of 6-amino-2-oxohexanoic acid.

(2S,4S)-4-hydroxy-2,3,4,5-tetrahydropyridine-2,6-dicarboxylic acid

6-acetamido-3-oxohexanoic acid

N-acetyl-L-glutamate(2-)

An N-acyl-L-alpha-amino acid anion resulting from deprotonation of both carboxy groups of N-acetyl-L-glutamic acid.

N2-Acetyl-L-aminoadipate semialdehyde

Hydroxymetronidazole

1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole

1-(Malonylamino)cyclopropanecarboxylic acid

5-(5-methyl-2-furyl)-2,3-dihydro-1H-pyrrolizine

MOLINATE

D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D009676 - Noxae > D000988 - Antispermatogenic Agents D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals

3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one

N-(3S-hydroxy-butanoyl)-homoserine lactone

Procollagen 5-hydroxy-L-lysine

N-acetyl-L-glutaminate

C7H11N2O4 (187.0719)

An N(2)-acetylglutaminate that has L-configuration; major species at pH 7.3.

Ketoacetamidocaproic acid

5-(but-2-en-1-ylidene)-1h,2h,3h-cyclopenta[b]pyridin-4-one

5h,6h-pyrimido[4,5-g]indolizin-1-ol

10-amino-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,7,9-tetraen-11-one

(9ar)-1h,9h,9ah-naphtho[2,3-c][1,2]oxazol-3-one

2H-benz[e]indol-2-one,1,3,3a,4,5,9b-hexahydro-