Exact Mass: 187.0625

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

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-(2-Hydroxyethyl-2-hydroxymethyl)-5-nitro-imidazole

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)

N-Methylquinolinium-2-carboxylate

3-Indoleacrylic acid

Indole-3-acrylic acid

trans-3-Indoleacrylic acid is an endogenous metabolite.

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.

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

2-methyl-4-nitrosonaphthalen-1-ol

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

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

1-methylquinolin-1-ium-2-carboxylate

Indoleacrylic acid

3-Indoleacrylic acid

trans-3-Indoleacrylic acid is an endogenous metabolite.

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

N-butyryl-L-Homocysteine thiolactone

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

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

4-(PYRIDIN-2-YLOXY)PHENOL

3-Hydrazinylpiperidine dihydrochloride

C5H15Cl2N3 (187.0643)

2-Methylquinoline-6-carboxylicacid

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

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

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

4-Methylquinoline-2-carboxylic acid

p Tolylmaleimide

6-methoxyquinoline-3-carbaldehyde

6-Methylquinoline-3-carboxylic acid

2-METHYL-INDOLIZINE-1,3-DICARBALDEHYDE

2-Furancarboxamide,N-phenyl-

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

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

Methyl quinoline-6-carboxylate

methyl l-2-isothiocyanato-4-methylvalerate

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

2-P-TOLYL-OXAZOLE-4-CARBALDEHYDE

6-AMINO-2-NAPHTHOIC ACID

3-Aminomethylphenylboronic acid hydrochloride

5-(Trifluoromethyl)indoline

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

2-methylquinoline-8-carboxylic acid

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

4-Amino-1-naphthoic acid

6-(trifluoromethyl)indoline

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

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

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

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

Methyl 5-quinolinecarboxylate

2-(QUINOLIN-7-YL)ACETIC ACID

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

Methyl quinoline-7-carboxylate

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

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

Methyl isoquinoline-3-carboxylate

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

Methyl .alpha.-cyanocinnamate

2-isoquinolin-1-ylacetic acid

2-(QUINOLIN-8-YL)ACETIC ACID

8-methylquinoline-4-carboxylic acid

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

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

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

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

C6H10ClN5 (187.0625)

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

8-METHYL-QUINOLINE-3-CARBOXYLIC ACID

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

8-Quinolinyl acetate

3-METHYL-5-PHENYL-4-ISOXAZOLECARBALDEHYDE

(2Z)-3-Thiomorpholinylideneacetic acid ethyl ester

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

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

Methyl 4-quinolinecarboxylate

Quinolin-2-ylacetic acid

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

7-Methyl-2-Quinolinecarboxylic Acid

2,4-Dihydroxy-5-phenylpyridine

ethyl 2-isothiocyanato-3-methyl-butanoate

4-Quinolinylacetic acid

Methyl 6-isothiocyanatohexanoate

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

2-(ISOQUINOLIN-7-YL)ACETIC ACID

2-(Quinolin-6-yl)acetic acid

2-Methyl-3-quinolinecarboxylic acid

6-methoxyquinoline-8-carbaldehyde

2-(2-BENZOTHIAZOLYL)-6-METHYLPHENOL

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

2-(ISOQUINOLIN-6-YL)ACETIC ACID

6-Quinolinyl acetate

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

C6H15Cl2NO (187.0531)

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

Methyl isoquinoline-4-carboxylate

3-Quinolinylacetic acid

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

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

1-Benzylpyrrole-2,5-dione

1-methyl-2-oxoquinoline-4-carbaldehyde

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

7-methoxyquinoline-3-carbaldehyde

5-METHYL-3-PHENYL-4-ISOXAZOLECARBALDEHYDE

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

TERT-BUTYL3-ISOTHIOCYANATOPROPIONATE

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

1-Amino-2-naphthoic acid

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

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

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

methyl quinoline-3-carboxylate

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

3-Chloro-2-hydroxypropyltrimethylammonium chloride

C6H15Cl2NO (187.0531)

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

2-(3-fluorophenyl)cyclopropanamine hydrochloride

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

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

C5H14ClNO4 (187.0611)

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

3-(1-Cyanocyclopropyl)benzoic acid

5-Amino-1-naphthoic acid

3-Methyl-1-nitronaphthalene

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

1-AMINO-8-NAPHTHOIC ACID

3-Methyl-6-isoquinolinecarboxylic acid

8-methoxyquinoline-2-carbaldehyde

ammonium urate

C5H9N5O3 (187.0705)

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

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

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-

ISOQUINOLINE-1-CARBOXYLIC ACID METHYL ESTER

4-(TRIFLUOROMETHYL)ISOINDOLINE

6-Fluoronorepinephrine

C8H10FNO3 (187.0645)

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

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

C11H9NO2- (187.0633)

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

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

C7H11N2O4- (187.0719)

N-acetyl-D-glutaminate

C7H11N2O4- (187.0719)

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

N-(3-Trifluoromethylbenzylidene)methylamine

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.

Hydroxymetronidazole

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

N-acetyl-L-glutaminate

C7H11N2O4 (187.0719)

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

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

3-(1h-indol-2-yl)prop-2-enoic acid

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