Exact Mass: 160.984

CONFIDENCE standard compound; INTERNAL_ID 8104

N-Formyl-L-aspartate

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

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

2,4-Dichloroaniline

2,4-Dichloroaniline hydrochloride

2,5-DCA

1-Amino-2,5-dichlorobenzene

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

Erucin

1-Isothiocyanato-4-(methylsulphanyl)butane

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.

1-Thiocyanato-4-(methylthio)butane

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

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.

A-Ketoglutaric acid oxime

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

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

1,5-Benzothiazepine

2,3-Dichloroaniline

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

2,4-Dichloro-6-methylpyridine

3,5-Dichloroaniline

3,5-Dichlorobenzenamine

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

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

8-Mercaptoquinoline

8-Mercaptoquinoline hydrochloride

Alanine glyoxylate

2-Oxoacetyl 2-aminopropaneperoxoic acid

Benzothiazepine

1,2-benzothiazepine

Clomethiazole

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

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].

Glycine pyruvate

2-oxopropanoyl 2-aminoethaneperoxoate

N-Oxalyl-L-alanine

2-(carboxyformamido)propanoic acid

serine-glyoxylate

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

2-oxo-5-methylthiopentanoate

2-(5-Methylsulphanyl)oxopentanoic acid

C6H9O3S (161.0272)

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.

CONFIDENCE standard compound; INTERNAL_ID 4004

3,5-Dichloroaniline

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-(Hydroxyimino)- pentanedioic acid

Erucin

1-isothiocyanato-4-(methylsulfanyl)butane

4-(methylthio)Butyl thiocyanate, 9ci

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

3-Bromo-1-methyl-1,2,4-triazole

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

C6H5F2NS (161.0111)

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

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

2,5-Dichoro-3-picoline

5-Bromopentanenitrile

C5H8BrN (160.984)

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

2-aminoresorcinol, hydrochloride

3-bromo-2-(chloromethyl)pyridine

5-chlorothiophene-2-carboxamide

3-Acetylthiazolidine-2-thione

C5H7NOS2 (160.9969)

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

5-(CHLOROMETHYL)ISOXAZOLE-4-CARBOXYLIC &

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

2-Pyridinesulfonyl fluoride

C5H4FNO2S (160.9947)

4-Chloro-2-(chloromethyl)pyridine

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

C5H2F3N3 (161.0201)

sodium dimethyldithiocarbamate hydrate

C3H8NNaOS2 (160.9945)

2,6-Dichloro-4-picoline

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

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

3-Bromo-1H-pyrazol-5-amine

Iodoethane-d5

C2D5I (160.975)

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

2-Chloro-5-chloromethylpyridine

5-Chloro-2-(chloromethyl)pyridine

3-Chloro-2-(chloromethyl)pyridine

2-(Dichloromethyl)pyridine

METHYL-2-CHLOROOXAZOLE-4-CARBOXYLATE

2-(2-thienyl)pyridine

2,4-Dichloro-5-picoline

3-CHLOROTHIOPHENE-2-CARBOXAMIDE

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

C5H7NO3S (161.0147)

3-Amino-1-propanesulfonic acid sodium

C3H8NNaO3S (161.0123)

3-bromopyridine-d4

C5BrD4N (160.9778)

3-Ethylrhodanine

C5H7NOS2 (160.9969)

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

Butanenitrile,3-bromo-2-oxo-

5-Aminobenzene-1,3-diol hydrochloride

2,3,5-Trifluoroisonicotinaldehyde

C6H2F3NO (161.0088)

1-ethenyl-4-isothiocyanatobenzene

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

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

C3H3N3OS2 (160.9718)

4-Amino-2-chloro-3-fluorophenol

3-Isopropylthiazolidine-2-thione

4-(Bromomethyl)-1,3-oxazole

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

3-chloro-5-(chloromethyl)pyridine

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

C4H7N3O2S (161.0259)

1-methylimidazole-4-sulfonamide

C4H7N3O2S (161.0259)

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

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

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

5-isocyanato-2,1,3-benzoxadiazole

C7H3N3O2 (161.0225)

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

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

C4H7N3O2S (161.0259)

2,3-Dichloro-5-methylpyridine

2,5-Dichloro-4-methylpyridine

5-(bromomethyl)-1,3-oxazole

5-Chloro-3-fluoro-2-methoxypyridine

5-PHENYLISOTHIAZOLE

5-(Bromomethyl)-1,2-oxazole

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

4-BROMO-1H-PYRAZOL-1-AMINE

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

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

Sodium 2-(methylamino)ethanesulfonate

C3H8NNaO3S (161.0123)

2,4-Dichlor-3-methylpyridin

3-(Bromomethyl)isoxazole

2(1H)-Quinolinethione

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

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

3-Bromo-5-methyl-1,2-oxazole

2-Bromo-4-methyl-1,3-oxazole

5-Amino-2-chloro-4-fluorophenol

2-(3-THIENYL)PYRIDINE

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

C6H5F2NS (161.0111)

(Dichloromethylene)dimethylammonium chloride

C3H6Cl3N (160.9566)

5-CHLORO-3-FLUORO-2-HYDRAZINYLPYRIDINE

2-Chloro-4-(chloromethyl)pyridine

chembrdg-bb 4015094

Dimethyl 2-(hydroxyimino)malonate

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

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

3,5-Dichloro-4-picoline

3,4-Dichloro-2-Picoline

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

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

2-(Bromomethyl)-1,3-oxazole

3-bromo-1,2-dihydropyrrol-5-one

2-bromo-3-(chloromethyl)pyridine

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

Pyrocatechol, 4-amino-, hydrochloride

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

5-Bromo-1-methyl-1H-1,2,4-triazole

Dimethylamidophosphoric dichloride

C2H6Cl2NOP (160.9564)

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

3-chloro-4-(chloromethyl)pyridine

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

C6H8FNOS (161.0311)

5-Chloro-1-methyl-4-nitroimidazole

4-phenyl-1,3-thiazole

4-Bromo-5-methylisoxazole

2,3-dihydrothiazole-2-carbonyl chloride

3-Amino-2,2-difluoropropanoic acid hydrochloride

C3H6ClF2NO2 (161.0055)

4-Aminoresorcinol hydrochloride

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

3,5-Dichloro-2-methylpyridine

2,6-Dichloroaniline

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

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

2-METHYL-4-THIAZOLECARBONYLCHLORIDE

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

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

Sodium 2-nitrophenoxide

C6H4NNaO3 (161.0089)

Sodium 4-nitrophenoxide

C6H4NNaO3 (161.0089)

2,3-Dichloro-6-picoline

4-(BROMOMETHYL)ISOXAZOLE

2,6-Dichloro-3-methylpyridine

4-mercaptoquinoline

3-(3-THIENYL)PYRIDINE

DIMETHYLDITHIOCARBAMIC ACID SODIUM SALT DIHYDRATE

C3H8NNaOS2 (160.9945)

4-Chloro-3-fluoro-5-methoxypyridine

2-Chloro-6-(chloromethyl)pyridine

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

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

sulfonitric mixed acid

H3NO7S (160.963)

2-PHENYLTHIAZOLE

4-(Hydroxymethyl)pyridin-3-ol hydrochloride

1H-1,2,4-Triazole, 3-bromo-5-methyl-

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

2-methoxy-3-chloro-5-fluoropyridine

3-Amino-4-bromopyrazole

3-(2-thienyl)pyridine

3-BROMO-4-METHYL-4H-1,2,4-TRIAZOLE

4,5-Dichloro-2-Methylpyridine

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

bromobenzene-d5

C6BrD5 (160.9888)

4-bromo-1-methyl-1h-1,2,3-triazole

4-Chloro-5-Methyl-3-nitropyrazole

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

4-Chloro-5-fluoro-2-pyridinemethanol

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

C4H4ClN3S (160.9814)

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

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

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

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

2-Pyridinemethanol, 3-hydroxy-, hydrochloride

608-27-5

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

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

C5H7NO5-2 (161.0324)

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

C6H9O3S- (161.0272)

5-methylthio-2-Oxopentanoate

C6H9O3S- (161.0272)

6-Chloropyridine-2,3,5-triol

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.

2,6-Dichlorophenolate

C6H3Cl2O- (160.9561)

2,5-Dichlorophenolate

C6H3Cl2O- (160.9561)

3-Chloro-6-fluoro-2-hydroxyphenolate

C6H3ClFO2- (160.9806)

2-Amino-4-oxopentanedioic acid

2-Amino-3-oxaldehydoyloxypropanoic acid

4-Hydroxycoumarin(1-)

C9H5O3- (161.0239)

4-Hydroxy-2-oxoglutarate(1-)

C5H5O6- (161.0086)

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

Nitrosuccinate

C4H3NO6-2 (160.996)

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

C5H7NO5-2 (161.0324)

For-Asp-OH

N-Formyl-L-aspartic acid

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

2,4-DCA

2,4-DICHLOROANILINE

2,3-Dichloroaniline

4-(Methylthio)butyl thiocyanate

4-hydroxy-L-glutamate(2-)

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-)

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

N-Formyl-aspartic acid

4-phenyl-isothiazole

{"Ingredient_id": "HBIN010818","Ingredient_name": "4-phenyl-isothiazole","Alias": "NA","Ingredient_formula": "C9H7NS","Ingredient_Smile": "C1=CC=C(C=C1)C2=CSN=C2","Ingredient_weight": "161.23 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7751","PubChem_id": "136748","DrugBank_id": "NA"}

3,4,4-trimethyl-1,2,3-dithiazine