Exact Mass: 172.0055

Exact Mass Matches: 172.0055

Found 500 metabolites which its exact mass value is equals to given mass value 172.0055, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Glycerol 3-phosphate

alpha-Glycerophosphoric acid, 1,2,3-propanetriol-1-(18)O,3-(dihydrogen phosphate)-labeled

C3H9O6P (172.0137)

Glycerol 3-phosphate, also known as glycerophosphoric acid or alpha-glycerophosphorate, is a member of the class of compounds known as glycerophosphates. Glycerophosphates are compounds containing a glycerol linked to a phosphate group. Glycerol 3-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). Glycerol 3-phosphate can be found in a number of food items such as sacred lotus, common oregano, mixed nuts, and yautia, which makes glycerol 3-phosphate a potential biomarker for the consumption of these food products. Glycerol 3-phosphate can be found primarily in blood, feces, saliva, and urine, as well as in human prostate tissue. Glycerol 3-phosphate exists in all living species, ranging from bacteria to humans. In humans, glycerol 3-phosphate is involved in several metabolic pathways, some of which include cardiolipin biosynthesis cl(i-12:0/i-21:0/a-21:0/i-21:0), cardiolipin biosynthesis cl(i-12:0/a-25:0/i-13:0/i-12:0), cardiolipin biosynthesis cl(i-13:0/i-21:0/i-21:0/a-25:0), and cardiolipin biosynthesis cl(i-13:0/a-25:0/i-18:0/a-13:0). Glycerol 3-phosphate is also involved in several metabolic disorders, some of which include de novo triacylglycerol biosynthesis tg(i-24:0/19:0/16:0), de novo triacylglycerol biosynthesis TG(16:0/22:4(7Z,10Z,13Z,16Z)/16:1(9Z)), de novo triacylglycerol biosynthesis TG(18:0/18:3(9Z,12Z,15Z)/14:1(9Z)), and de novo triacylglycerol biosynthesis TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:2(11Z,14Z)). Glycerol 3-phosphate is a chemical intermediate in the glycolysis metabolic pathway. It is commonly confused with the similarly named glycerate 3-phosphate or glyceraldehyde 3-phosphate. Glycerol 3-phosphate is produced from glycerol, the triose sugar backbone of triglycerides and glycerophospholipids, by the enzyme glycerol kinase. Glycerol 3-phospate may then be converted by dehydrogenation to dihydroxyacetone phosphate (DHAP) by the enzyme glycerol-3-phosphate dehydrogenase. DHAP can then be rearranged into glyceraldehyde 3-phosphate (GA3P) by triose phosphate isomerase (TIM), and feed into glycolysis. The glycerol 3-phosphate shuttle is used to rapidly regenerate NAD+ in the brain and skeletal muscle cells of mammals (wikipedia). Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID G072

Sulfanilamide

4-Aminobenzene sulphonic acid amide

C6H8N2O2S (172.0306)

Sulfanilamide is only found in individuals that have used or taken this drug. It is a molecule containing the sulfonamide functional group attached to an aniline. [Wikipedia]Sulfanilamide is a competitive inhibitor of bacterial enzyme dihydropteroate synthetase. This enzyme normally uses para-aminobenzoic acid (PABA) for synthesizing the necessary folic acid. The inhibited reaction is normally necessary in these organisms for the synthesis of folic acid. Without it, bacteria cannot replicate. D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BA - Sulfonamides J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EB - Short-acting sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; INTERNAL_ID 1022 KEIO_ID S016

p-Toluenesulfonic acid

4-methylbenzenesulfonic acid

C7H8O3S (172.0194)

p-Toluenesulfonic acid, also known as tosylate or para-toluene sulfonate, is a member of the class of compounds known as p-methylbenzenesulfonates. p-Methylbenzenesulfonates are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position. p-Toluenesulfonic acid is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). p-Toluenesulfonic acid (PTSA or pTsOH) or tosylic acid (TsOH) is an organic compound with the formula CH3C6H4SO3H. It is a white solid that is soluble in water, alcohols, and other polar organic solvents. The CH3C6H4SO2– group is known as the tosyl group and is often abbreviated as Ts or Tos. Most often, TsOH refers to the monohydrate, TsOH•H2O. It is a white solid that is soluble in water, alcohols, and other polar organic solvents (Wikipedia). CONFIDENCE standard compound; INTERNAL_ID 337; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2502; ORIGINAL_PRECURSOR_SCAN_NO 2501 CONFIDENCE standard compound; INTERNAL_ID 337; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2509; ORIGINAL_PRECURSOR_SCAN_NO 2508 CONFIDENCE standard compound; INTERNAL_ID 337; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2534; ORIGINAL_PRECURSOR_SCAN_NO 2533 CONFIDENCE standard compound; INTERNAL_ID 337; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2493; ORIGINAL_PRECURSOR_SCAN_NO 2492 CONFIDENCE standard compound; INTERNAL_ID 337; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2571; ORIGINAL_PRECURSOR_SCAN_NO 2570 CONFIDENCE standard compound; INTERNAL_ID 337; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2508; ORIGINAL_PRECURSOR_SCAN_NO 2507

beta-Glycerophosphoric acid

2-HYDROXY-1-(hydroxymethyl)ethyl dihydrogen phosphoric acid

C3H9O6P (172.0137)

beta-Glycerophosphoric acid, also known as BGA or glycerol 2-phosphate, is a component of glycerolipid metabolism. It is formed in minor quanitites because the alpha glycerophosphorate is preferentially formed in this manner. beta-Glycerophosphoric acid is used as a biological buffer (Sigma-Aldrich). Glycerol-2-phosphate is a component of glycerolipid metabolism. It is formed in minor quanitites, as the alpha glycerophosphorate is preferentially formed in this manner. Also used as a biological buffer (Sigma-Aldrich) [HMDB] Acquisition and generation of the data is financially supported in part by CREST/JST.

3-dehydroshikimate

4,5-dihydroxy-3-oxocyclohexene-1-carboxylic acid

C7H8O5 (172.0372)

Dehydroshikimic acid

C7H8O5 (172.0372)

2-Oxohept-3-enedioate

cis-2-Oxohept-3-enedioic acid

C7H8O5 (172.0372)

2-Hydroxyhepta-2,4-dienedioate

2-hydroxy-hept-2,4-diene-1,7-dioic acid

C7H8O5 (172.0372)

A dicarboxylic acid that is 2-hydroxyhepta-2,4-diene in which the two terminal methyl groups are replaced by carboxy groups (the 2Z,4E-geoisomer).

Benzenamine sulfate

C6H6NO3S- (172.0068)

2-Hydroxy-5-methyl-cis,cis-muconate

2-Hydroxy-5-methyl-cis,cis-muconic acid

C7H8O5 (172.0372)

6918-07-6

2-Oxo-5-methyl-cis-muconate

C7H8O5 (172.0372)

5-Methylmaleylacetate

C7H8O5 (172.0372)

2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid

(3Z,5E)-4,6-dihydroxy-5-methyl-2-oxohexa-3,5-dienoic acid

C7H8O5 (172.0372)

A dihydroxy monocarboxylic acid that is 2,4-dihydroxy-2,4-hexadienoic acid bearing additional methyl and oxo substituents at positions 5 and 6 respectively.

Glycerophosphoric acid

alpha-Glycerophosphoric acid, 1,2,3-propanetriol-1-(18)O,3-(dihydrogen phosphate)-labeled

C3H9O6P (172.0137)

Glycerol 3-phosphate is a chemical intermediate in the glycolysis metabolic pathway. It is commonly confused with the similarly named glycerate 3-phosphate or glyceraldehyde 3-phosphate. Glycerol 3-phosphate is produced from glycerol, the triose sugar backbone of triglycerides and glycerophospholipids, by the enzyme glycerol kinase. Glycerol 3-phospate may then be converted by dehydrogenation to dihydroxyacetone phosphate (DHAP) by the enzyme glycerol-3-phosphate dehydrogenase. DHAP can then be rearranged into glyceraldehyde 3-phosphate (GA3P) by triose phosphate isomerase (TIM), and feed into glycolysis. The glycerol 3-phosphate shuttle is used to rapidly regenerate NAD+ in brain and skeletal muscle cells of mammals (wikipedia). [HMDB]

Sn-glycerol-1-phosphate

C3H9O6P (172.0137)

Monomethyl phenylphosphonate

Phenylphosphonic acid, monomethyl ester

C7H9O3P (172.0289)

Monomethyl phenylphosphonate is a metabolite of Leptophos DLC66-L and Leptophos Oxon belo

3-Chloroperoxybenzoic acid

3-chlorobenzene-1-carboperoxoic acid

C7H5ClO3 (171.9927)

D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D009676 - Noxae > D016877 - Oxidants

5-Chlorosalicylic acid

5-Chloro-2-hydroxybenzoic acid

C7H5ClO3 (171.9927)

D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates

O,S,S-Trimethyl phosphorodithioate

O,S,S-TRIMETHYL phosphorodithioic acid

C3H9O2PS2 (171.9782)

4-Chloro-1-methyl-2H-pyridine-3-carboxamide

4-Chloro-1-methyl-1,2-dihydropyridine-3-carboximidate

C7H9ClN2O (172.0403)

Dihydroxy-(2-methoxyethoxy)-sulfanylidene-$l^{5}-phosphane

Dihydroxy-(2-methoxyethoxy)-sulphanylidene-$l^{5}-phosphane

C3H9O4PS (171.9959)

3-dehydroshikimate

4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylate

C7H8O5 (172.0372)

3-dehydro-shikimate is a member of the class of compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. 3-dehydro-shikimate is soluble (in water) and a weakly acidic compound (based on its pKa). 3-dehydro-shikimate can be found in a number of food items such as pot marjoram, salmonberry, purple laver, and lichee, which makes 3-dehydro-shikimate a potential biomarker for the consumption of these food products. 3-dehydro-shikimate may be a unique E.coli metabolite.

2-chloro-5-imino-2,3,5,7a-tetrahydro-1H-pyrrolizin-7a-ol

C7H9ClN2O (172.0403)

Xanthopappin A

C11H8S (172.0347)

5-Dehydroshikimic acid

(-)-3-DEHYDROSHIKIMIC ACID

C7H8O5 (172.0372)

5-CHLOROSALICYLIC ACID

C7H5ClO3 (171.9927)

D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates

2,5-dimethoxychlorobenzene

2-Chloro-1,4-dimethoxybenzene

C8H9ClO2 (172.0291)

Bis(methylsulfonyl)methane

C3H8O4S2 (171.9864)

3-amino-3-(1,3-thiazol-2-yl)propanoic acid

C6H8N2O2S (172.0306)

3-CHLORO-4-HYDROXYBENZOIC ACID

C7H5ClO3 (171.9927)

chlorogentisylquinone

C7H5ClO3 (171.9927)

rac-Glycerol 3-phosphoate disodium salt hexahydrate

C3H9O6P (172.0137)

L-Glycerol-2-phosphate Disodium Salt n-Hydrate

C3H9O6P (172.0137)

Glycerophosphoric acid

C3H9O6P (172.0137)

P-TOLUENESULFONIC ACID

C7H8O3S (172.0194)

1-Methylnicotinamide chloride

C7H9ClN2O (172.0403)

Glycerol 2-phosphate

C3H9O6P (172.0137)

A glycerol monophosphate having the phosphate group at the 2-position.

sulfanilamide

Asulam-TP Sulfanilamide

C6H8N2O2S (172.0306)

D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BA - Sulfonamides J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EB - Short-acting sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; INTERNAL_ID 576; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3370; ORIGINAL_PRECURSOR_SCAN_NO 3366 CONFIDENCE standard compound; INTERNAL_ID 576; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3389; ORIGINAL_PRECURSOR_SCAN_NO 3387 CONFIDENCE standard compound; INTERNAL_ID 576; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3366; ORIGINAL_PRECURSOR_SCAN_NO 3363 CONFIDENCE standard compound; INTERNAL_ID 576; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3385; ORIGINAL_PRECURSOR_SCAN_NO 3381 CONFIDENCE standard compound; INTERNAL_ID 576; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3372; ORIGINAL_PRECURSOR_SCAN_NO 3369 CONFIDENCE standard compound; INTERNAL_ID 576; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3376; ORIGINAL_PRECURSOR_SCAN_NO 3373 CONFIDENCE standard compound; UCHEM_ID 4195

Glycerol 3-phosphate; LC-tDDA; CE10

C3H9O6P (172.0137)

Glycerol 3-phosphate; LC-tDDA; CE20

C3H9O6P (172.0137)

Glycerol 3-phosphate; LC-tDDA; CE30

C3H9O6P (172.0137)

Glycerol 3-phosphate; LC-tDDA; CE40

C3H9O6P (172.0137)

beta-Glycerophosphate

C3H9O6P (172.0137)

Glycerol 3-phosphate

C3H9O6P (172.0137)

3-Dehydroshikimic acid

C7H8O5 (172.0372)

A 4-oxo monocarboxylic acid that is shikimic acid in which the allylic hydroxy group has been oxidised to the corresponding keto group.

2-Heptenedioic acid, 4-oxo-

C7H8O5 (172.0372)

Tetroquinone

Tetrahydroxyquinone

C6H4O6 (172.0008)

Methyl phenylphosphonate

Phenylphosphonic acid, monomethyl ester

C7H9O3P (172.0289)

1-Chloro-3,5-dimethoxybenzene

5-Chlororesorcinol dimethyl ether

C8H9ClO2 (172.0291)

2-Chloro-6-hydroxybenzoic acid

C7H5ClO3 (171.9927)

5-chloro-2-ethoxypyridin-3-amine

C7H9ClN2O (172.0403)

(S)-2-AMINO-3-(THIAZOL-5-YL)PROPANOIC ACID

C6H8N2O2S (172.0306)

BETA-(2-THIAZOLYL)-DL-ALANINE

C6H8N2O2S (172.0306)

bis(2-Chloroethoxy)methane

C5H10Cl2O2 (172.0058)

Hydroxy(phosphonooxy)acetic acid

C2H5O7P (171.9773)

(1R)-1-(3-Chlorophenyl)-1,2-ethanediol

C8H9ClO2 (172.0291)

Methyl 4-methoxythiophene-3-carboxylate

C7H8O3S (172.0194)

5-Fluoro-2-sulfanylbenzoic acid

C7H5FO2S (171.9994)

2,4-Difluoro-3-methoxybenzaldehyde

C8H6F2O2 (172.0336)

5-FLUOROIMIDAZO[1,2-A]PYRIDINEHYDROCHLORIDE

C7H6ClFN2 (172.0204)

N-METHOXY-N-METHYL-THIAZOLE-2-CARBOXAMIDE

C6H8N2O2S (172.0306)

3-(Dihydroxyboryl)-2-thiophenecarboxylic acid

C5H5BO4S (172.0002)

4-METHYL-2-(METHYLSULFONYL)PYRIMIDINE

C6H8N2O2S (172.0306)

2-CHLOROMETHYL-4-NITRO-PYRIDINE

C6H5ClN2O2 (172.004)

Benzene,[[(chloromethyl)thio]methyl]-

C8H9ClS (172.0113)

2-(6-Chloropyrazin-2-yl)acetic acid

C6H5ClN2O2 (172.004)

1-CHLORO-2-(CHLOROMETHYL)-3,5-DIOXAHEXANE

C5H10Cl2O2 (172.0058)

5-(Trifluoromethyl)picolinonitrile

C7H3F3N2 (172.0248)

4-methylpyridine-2-sulfonamide

C6H8N2O2S (172.0306)

2-Chloro-3-nitro-5-picoline

C6H5ClN2O2 (172.004)

4-chloro-2-methoxybenzyl alcohol

C8H9ClO2 (172.0291)

4-amino-6-chloropicolinic acid

C6H5ClN2O2 (172.004)

6-chloro-2-methylpyrimidine-4-carboxylic acid

C6H5ClN2O2 (172.004)

2-(2-Chloro-5-pyrimidinyl)-2-propanol

C7H9ClN2O (172.0403)

(5-chloro-6-methoxypyridin-3-yl)methanamine

C7H9ClN2O (172.0403)

N-pyridin-2-ylmethanesulfonamide

C6H8N2O2S (172.0306)

1H-Azepine-1-sulfonamide(8CI,9CI)

C6H8N2O2S (172.0306)

2,6-dichlorostyrene

C8H6Cl2 (171.9847)

3,4-Dichlorostyrene

C8H6Cl2 (171.9847)

Thiophene-2,5-dicarboxylic acid

C6H4O4S (171.983)

(2R)-1-(Chloroacetyl)-2-pyrrolidinecarbonitrile

C7H9ClN2O (172.0403)

4-Amino-5-chloronicotinic acid

C6H5ClN2O2 (172.004)

3-ethoxythiophene-2-carboxylic acid

C7H8O3S (172.0194)

4-Hydroxy-6-methoxymethylpyrimidine-2-thiol

C6H8N2O2S (172.0306)

4-Chloro-3-nitroaniline

C6H5ClN2O2 (172.004)

3-CHLORO-4-METHOXYBENZYLALCOHOL

C8H9ClO2 (172.0291)

(S)-4-ISOBUTYL-2-OXAZOLIDINONE

C7H8O3S (172.0194)

3-nitrothiophene-2-carboxamide

C5H4N2O3S (171.9943)

3,5-difluoro-2-methylbenzoic acid

C8H6F2O2 (172.0336)

1,4-BUTANE DIISOTHIOCYANATE

C6H8N2S2 (172.0129)

4-(chloromethyl)phenyl methyl sulfide

C8H9ClS (172.0113)

2-Chloro-3-(ethoxymethyl)pyrazine

C7H9ClN2O (172.0403)

3-Chloro-6-ethoxymethyl-pyridazine

C7H9ClN2O (172.0403)

(6-CHLORO-PYRIMIDIN-4-YL)-ISOPROPYL-AMINE

C7H9ClN2O (172.0403)

2-(ISOPROPYLAMINO-METHYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

C7H9ClN2O (172.0403)

(5-Chloro-2-methoxyphenyl)hydrazine

C7H9ClN2O (172.0403)

4-Oxo-1,2-cyclopentanedicarboxylic acid

C7H8O5 (172.0372)

4-Chlorosalicylic acid

C7H5ClO3 (171.9927)

D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates

2-Chloro-5-nitroaniline

C6H5ClN2O2 (172.004)

4-Fluoro-3-methylbenzoyl chloride

C8H6ClFO (172.0091)

1-Chloro-2,4-dimethoxybenzene

C8H9ClO2 (172.0291)

Methyl 6-chloropyrimidine-4-carboxylate

C6H5ClN2O2 (172.004)

2-Chloro-4-methyl-3-nitropyridine

C6H5ClN2O2 (172.004)

2-chloro-6-ethoxypyridin-4-amine

C7H9ClN2O (172.0403)

DIHYDRO-1,3-DIMETHYL-2-THIOXO-4,6(1H,5H)-PYRIMIDINEDIONE

C6H8N2O2S (172.0306)

3-(Trifluoromethyl)-2-pyridinecarbonitrile

C7H3F3N2 (172.0248)

methyl 2-chloropyrimidine-4-carboxylate

C6H5ClN2O2 (172.004)

(3-Chloro-4-hydroxyphenyl)boronic acid

C6H6BClO3 (172.0099)

3-Hydroxybenzamidine hydrochloride

C7H9ClN2O (172.0403)

6-(Methylsulfonyl)-3-pyridinamine

C6H8N2O2S (172.0306)

2-Chlorothioisonicotinamide ,95

C6H5ClN2S (171.9862)

4-Chloro-3-hydroxyphenylboronic Acid

C6H6BClO3 (172.0099)

(difluoromethoxy)benzaldehyde

C8H6F2O2 (172.0336)

2-Chloro-1,3-dimethoxybenzene

C8H9ClO2 (172.0291)

methyl 5-methoxythiophene-2-carboxylate

C7H8O3S (172.0194)

4-(Trifluoromethyl)picolinonitrile

C7H3F3N2 (172.0248)

2-thiouracil-5-carboxylic acid

C5H4N2O3S (171.9943)

2-Chloro-4-methyl-5-pyrimidinecarboxylic acid

C6H5ClN2O2 (172.004)

Ethyl 2-mercapto-1H-imidazole-4-carboxylate

C6H8N2O2S (172.0306)

4-Chloro-2-nitroaniline

C6H5ClN2O2 (172.004)

5-Ethynyl-2-benzofuran-1,3-dione

C10H4O3 (172.016)

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

C8H6ClFO (172.0091)

p-Tolyl-Phosphonic Acid

C7H9O3P (172.0289)

4-Chloro-2-methylpyrimidine-5-carboxylic acid

C6H5ClN2O2 (172.004)

2-Chloro-5-methylpyrimidine-4-carboxylic acid

C6H5ClN2O2 (172.004)

(4-Chloro-3-methoxyphenyl)methanol

C8H9ClO2 (172.0291)

Methyl 6-chloropyrazine-2-carboxylate

C6H5ClN2O2 (172.004)

cyclopentylmagnesium bromide

C5H9BrMg (171.9738)

methyl 4-hydroxy-2-methylthiophene-3-carboxylate

C7H8O3S (172.0194)

4-Aminothiazole-5-Carboxylic Acid Ethyl Ester

C6H8N2O2S (172.0306)

(2-chloro-6-methoxypyridin-3-yl)methanamine

C7H9ClN2O (172.0403)

5-Amino-2-chloroisonicotinic acid

C6H5ClN2O2 (172.004)

(1R)-1-(4-Chlorophenyl)-1,2-ethanediol

C8H9ClO2 (172.0291)

3-(Difluoromethoxy)benzaldehyde

C8H6F2O2 (172.0336)

2,3-Difluoro-4-methoxybenzaldehyde

C8H6F2O2 (172.0336)

4-Chloro-3-fluoroacetophenone

C8H6ClFO (172.0091)

3-Chloro-2-fluoroacetophenone

C8H6ClFO (172.0091)

6-(trifluoromethyl)pyridine-2-carbonitrile

C7H3F3N2 (172.0248)

6-Chloro-2-fluoropurine

C5H2ClFN4 (171.9952)

Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate

C6H8N2O2S (172.0306)

2-Chloro-3-nitroaniline

C6H5ClN2O2 (172.004)

2,4-Difluoro-3-methylbenzoic acid

C8H6F2O2 (172.0336)

S-phenyl chloromethanethioate

C7H5ClOS (171.975)

3-Chlorosalicylic acid

3-Chloro-2-hydroxybenzoic acid

C7H5ClO3 (171.9927)

3-Chloro-4-fluoroacetophenone

C8H6ClFO (172.0091)

(2,3-Dihydrothieno[3,4-b][1,4]dioxin-2-yl)methanol

C7H8O3S (172.0194)

5-Fluoro-o-toluoyl chloride

C8H6ClFO (172.0091)

Pyrazinecarboximidamide,3-chloro-N-hydroxy-

C5H5ClN4O (172.0152)

3-Chloro-2-nitroaniline

C6H5ClN2O2 (172.004)

2,3-dioxo-1H-indole-7-carbonitrile

C9H4N2O2 (172.0273)

4-Amino-2-(methylsulfonyl)pyridine

C6H8N2O2S (172.0306)

2-Chloro-6-methyl-4-nitropyridine

C6H5ClN2O2 (172.004)

2-Chloro-4-ethoxy-6-methylpyrimidine

C7H9ClN2O (172.0403)

3-Fluoro-2-methoxy-5-nitropyridine

C6H5FN2O3 (172.0284)

Magnesium glycinate

C4H8MgN2O4 (172.0335)

(5-Amino-6-chloropyridin-3-yl)boronic acid

C5H6BClN2O2 (172.0211)

4-FLUORO-2-METHYLBENZOYL CHLORIDE

C8H6ClFO (172.0091)

[bromo(dideuterio)methyl]benzene

C7H5BrD2 (171.9857)

PYRIDIN-3-YL-METHANESULFONAMIDE

C6H8N2O2S (172.0306)

2,6-Dihydroxybenzoyl chloride

C7H5ClO3 (171.9927)

2-(2-chloro-4-fluorophenyl)acetaldehyde

C8H6ClFO (172.0091)

5-CYANOPHTHALIMIDE

C9H4N2O2 (172.0273)

3-Chloro-4-nitroaniline

C6H5ClN2O2 (172.004)

Methyl 5-chloropyrazine-2-carboxylate

C6H5ClN2O2 (172.004)

2,5-Thiophenediboronic acid

C4H6B2O4S (172.0173)

Methyl 3,4-difluorobenzoate

C8H6F2O2 (172.0336)

4,5-Difluoro-2-methylbenzoic acid

C8H6F2O2 (172.0336)

2,6-Difluoro-3-methoxybenzaldehyde

C8H6F2O2 (172.0336)

6-fluoro-2,3-dihydroxybenzoic acid

C7H5FO4 (172.0172)

Benzo[1,2-d:4,5-d]diimidazol-2(1H)-one (6CI)

C8H4N4O (172.0385)

2-(2,3-EPOXYPROPYLTHIO)THIOPHENE

C7H8OS2 (172.0017)

2,5-Difluoro-4-methylbenzoic acid

C8H6F2O2 (172.0336)

2,4-Difluoro-5-methylbenzoic acid

C8H6F2O2 (172.0336)

3,4-Difluoro-2-methylbenzoic acid

C8H6F2O2 (172.0336)

2-amino-4,6-dihydroxy-5-nitropyrimidine

C4H4N4O4 (172.0233)

4-Boronothiophene-2-carboxylic acid

C5H5BO4S (172.0002)

2,3-difluoro-6-methoxybenzaldehyde

C8H6F2O2 (172.0336)

(3-NITRO-[1,2,4]TRIAZOL-1-YL)-ACETIC ACID

C4H4N4O4 (172.0233)

Methyl 2-chloropyrimidine-5-carboxylate

C6H5ClN2O2 (172.004)

2-Pyridinesulfonamide,6-methyl-

C6H8N2O2S (172.0306)

1,3-Cyclobutanedithione,2,2,4,4-tetramethyl-

C8H12S2 (172.038)

1,2,3-Thiadiazole-5-carboxylicacid,4-(1-methylethyl)-(9CI)

C6H8N2O2S (172.0306)

Methyl 2-amino-5-methylthiazole-4-carboxylate

C6H8N2O2S (172.0306)

Methyl 3-hydroxy-5-methyl-2-thiophenecarboxylate

C7H8O3S (172.0194)

Methoxybenzoyl chloride

C8H9ClO2 (172.0291)

Methyl 2-amino-4-methylthiazole-5-carboxylate

C6H8N2O2S (172.0306)

2-Chloro-6-fluoroacetophenone

C8H6ClFO (172.0091)

1,3,5-trimethylpyrazole-4-carbonyl chloride

C7H9ClN2O (172.0403)

2-(Difluoromethyl)benzoic acid

C8H6F2O2 (172.0336)

2-methylisourea sulphate

C2H8N2O5S (172.0154)

Ethyl 5-methyl-1,3,4-thiadiazole-2-carboxylate

C6H8N2O2S (172.0306)

Methyl 4-(hydroxymethyl)thiophene-2-carboxylate

C7H8O3S (172.0194)

2-(4-chloropyrimidin-5-yl)acetic acid

C6H5ClN2O2 (172.004)

2,6-Difluoro-4-methylbenzoic acid

C8H6F2O2 (172.0336)

2-Amino-4-chloronicotinic acid

C6H5ClN2O2 (172.004)

2-Chloro-3-hydroxybenzoic acid

C7H5ClO3 (171.9927)

2-Chloro-5-hydroxybenzoic acid

C7H5ClO3 (171.9927)

Acetamide, N-[4-(hydroxymethyl)-2-thiazolyl]-

C6H8N2O2S (172.0306)

4-(2-chloroethoxy)phenol

C8H9ClO2 (172.0291)

(3aR,4R,7aR)-4-(hydroxymethyl)-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one

C7H8O5 (172.0372)

2,6-Difluoro-4-methoxybenzaldehyde

C8H6F2O2 (172.0336)

1H-Imidazole-4-carbonyl chloride, 2-propyl- (9CI)

C7H9ClN2O (172.0403)

Bicyclo[2.2.1]hept-5-ene-2-carboxylicacid, 2-chloro-, endo- (9CI)

C8H9ClO2 (172.0291)

5-propyl-1H-imidazole-4-carbonyl chloride

C7H9ClN2O (172.0403)

3-Amino-6-chloro-2-pyridinecarboxylic acid

C6H5ClN2O2 (172.004)

2,5-Dichlorostyrene

C8H6Cl2 (171.9847)

2-(3-chlorophenoxy)ethanol

C8H9ClO2 (172.0291)

4-Amidinophenol hydrochloride

C7H9ClN2O (172.0403)

5-Chloro-2-nitroaniline

C6H5ClN2O2 (172.004)

4-AMINO-3-CHLORO-PYRIDINE-2-CARBOXYLIC ACID

C6H5ClN2O2 (172.004)

2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethanol

C7H8O3S (172.0194)

Benzylphosphonic acid

C7H9O3P (172.0289)

4,5-Difluoro-2-methoxybenzaldehyde

C8H6F2O2 (172.0336)

2,2,2-trifluoroethyl-2-fluoroacrylate

C5H4F4O2 (172.0147)

2,4(1H,3H)-Pyrimidinedione,6-amino-5-nitro-

C4H4N4O4 (172.0233)

2,4-DIFLUORO-2-HYDROXYACETOPHENONE

C8H6F2O2 (172.0336)

2,3-Thiophenedicarboxylate

C6H4O4S (171.983)

1H-Pyrazole, 1-(chloroacetyl)-3,5-dimethyl- (9CI)

C7H9ClN2O (172.0403)

1-(3,5-Difluoro-4-hydroxyphenyl)ethanone

C8H6F2O2 (172.0336)

1-Iodo(1,1-2H2)propane

C3H5D2I (171.9718)

1-Iodo(2,2-2H2)propane

C3H5D2I (171.9718)

2,2-DIFLUORO-5-METHYLBENZO[D][1,3]DIOXOLE

C8H6F2O2 (172.0336)

3-Chloro-5-hydroxyphenylboronic acid

C6H6BClO3 (172.0099)

3,6-Difluoro-2-methoxybenzaldehyde

C8H6F2O2 (172.0336)

5-FLUORO-4-METHYL-3-NITROPYRIDIN-2-OL

C6H5FN2O3 (172.0284)

3-Amino-6-chloro-2-pyrazinecarboxamide

C5H5ClN4O (172.0152)

2-Aminobenzenesulfonamide

C6H8N2O2S (172.0306)

1-(2,4-DIFLUORO-3-HYDROXYPHENYL)-ETHANONE

C8H6F2O2 (172.0336)

2-Chloro-6-fluoro-3-methylbenzaldehyde

C8H6ClFO (172.0091)

((2-CHLOROETHYL)THIO)BENZENE

C8H9ClS (172.0113)

Methyl 4,5-diaminothiophene-2-carboxylate

C6H8N2O2S (172.0306)

5,6-Difluoro-2,1,3-benzoxadiazole 1-oxide

C6H2F2N2O2 (172.0084)

2-trifluoromethyl-3-cyanopyridine

C7H3F3N2 (172.0248)

2-Chloro-6-nitroaniline

C6H5ClN2O2 (172.004)

phenylphosphorodiamidate

C6H9N2O2P (172.0402)

2-Chloro-3-(fluoromethyl)benzaldehyde

C8H6ClFO (172.0091)

3-Aminobenzenesulfonamide

C6H8N2O2S (172.0306)

2-(2-Chlorophenoxy)ethanol

C8H9ClO2 (172.0291)

4-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo-

C5H4N2O3S (171.9943)

1-Chloro-2,3-dimethoxybenzene

C8H9ClO2 (172.0291)

nicotinamide chloromethylate

3-Carbamyl-1-methylpyridinium chloride

C7H9ClN2O (172.0403)

TRIA-662 (1-Methylnicotinamide chloride) is an endogenous metabolite. TRIA-662 shows antithrombotic and anti-inflammatory activities[1].

6-Amino-5-nitroso-2-sulfanylpyrimidin-4-ol

C4H4N4O2S (172.0055)

3-hydroxy-3-methyl-4,4,4-trifluorobutyric acid

C5H7F3O3 (172.0347)

4-(Difluoromethyl)benzoic acid

C8H6F2O2 (172.0336)

2-Amino-6-chloronicotinic acid

C6H5ClN2O2 (172.004)

5-Methylpyridine-3,4-diamine

C6H5FN2O3 (172.0284)

4-(Trifluoromethyl)nicotinonitrile

C7H3F3N2 (172.0248)

3-Chloro-6-methylpyridazine-4-carboxylic acid

C6H5ClN2O2 (172.004)

4-Chloro-6-isopropoxypyrimidine

C7H9ClN2O (172.0403)

6-Chloro-8-fluorotetrazolo[1,5-a]pyridine

C5H2ClFN4 (171.9952)

5-Chloro-2-methyl-3-nitropyridine

C6H5ClN2O2 (172.004)

2-(Difluoromethoxy)benzaldehyde

C8H6F2O2 (172.0336)

2-(Methylsulfonyl)-5-methylpyrimidine ,97

C6H8N2O2S (172.0306)

2-Amino-6-fluoro-4-nitrophenol

C6H5FN2O3 (172.0284)

Oxo(2,2,2-trifluoroethoxy)acetic acid

C4H3F3O4 (171.9983)

2-Amino-5-(methylsulfonyl)pyridine

C6H8N2O2S (172.0306)

2,3-dihydro-2,3-dioxo-1H-Indole-5-carbonitrile

C9H4N2O2 (172.0273)

Methyl 3-methoxythiophene-2-carboxylate

C7H8O3S (172.0194)

3-Fluoro-4-methylbenzoyl chloride

C8H6ClFO (172.0091)

3,4-Difluoro phenyl acetic acid

C8H6F2O2 (172.0336)

2,5-Difluorophenylacetic acid

C8H6F2O2 (172.0336)

2,4-Difluorophenylacetic acid

C8H6F2O2 (172.0336)

2,6-Difluorophenylacetic acid

(2,6-Difluorophenyl)acetic acid

C8H6F2O2 (172.0336)

2-(2,3-Difluorophenyl)acetic acid

C8H6F2O2 (172.0336)

2-Chloro-4-hydroxybenzoic acid

C7H5ClO3 (171.9927)

5-amino-2-chloropyridine-3-carboxylic acid

C6H5ClN2O2 (172.004)

5-chloro-2-fluorobenzamidine

C7H6ClFN2 (172.0204)

2-chloro-6-oxo-1H-pyridine-4-carboxamide

C6H5ClN2O2 (172.004)

4-CHLOROBENZYL METHYL SULFIDE

C8H9ClS (172.0113)

3-Methyl-pyridine-2-sulfonic acid amide

C6H8N2O2S (172.0306)

2-Amino-5-chloronicotinic acid

C6H5ClN2O2 (172.004)

3-Chloro-4,5-dihydroxybenzaldehyde

C7H5ClO3 (171.9927)

Loprodiol

2,2-bis(chloromethyl)propane-1,3-diol

C5H10Cl2O2 (172.0058)

C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent

2,3-Difluoro-4-methylbenzoic acid

C8H6F2O2 (172.0336)

2-Chloro-1-(3-fluorophenyl)ethanone

C8H6ClFO (172.0091)

Difluoro(phenyl)acetic acid

C8H6F2O2 (172.0336)

2-(METHYLSULFONYL)PYRIDIN-3-AMINE

C6H8N2O2S (172.0306)

3-(1,3-Thiazol-4-yl)-L-alanine

C6H8N2O2S (172.0306)

2-amino-1-pyridin-3-ylethanone,hydrochloride

C7H9ClN2O (172.0403)

6-chloropyridine-3-carbothioamide

C6H5ClN2S (171.9862)

2-(METHYLSULFONYL)PHENOL

C7H8O3S (172.0194)

2-Chloro-4-nitroaniline

C6H5ClN2O2 (172.004)

Ethyl 3,3,3-trifluoro-2-hydroxy-propionate

C5H7F3O3 (172.0347)

1-(5-Chloro-2-fluorophenyl)ethanone

C8H6ClFO (172.0091)

2,5-Difluoro-4-methoxybenzaldehyde

C8H6F2O2 (172.0336)

Monosodium tartrate

C4H5NaO6 (171.9984)

Methyl (2-amino-1,3-thiazol-4-yl)acetate

C6H8N2O2S (172.0306)

4,6-DIMETHOXYPYRIMIDINE-2-THIOL

C6H8N2O2S (172.0306)

5-Methyl-2-pyridinesulfonamide

C6H8N2O2S (172.0306)

BENZOIC ACID, 4-FLUORO-2-MERCAPTO-

C7H5FO2S (171.9994)

3-thiophen-3-ylprop-2-enoyl chloride

C7H5ClOS (171.975)

[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]ACETIC ACID

C6H8N2O2S (172.0306)

methyl 2,3,3-trifluoro-3-methoxypropanoate

C5H7F3O3 (172.0347)

2-Bromobicyclo[2.2.1]hept-2-ene

C7H9Br (171.9888)

5-methoxy-2-(methylthio)pyrimidin-4-ol

C6H8N2O2S (172.0306)

Benzenamine,3-chloro-5-nitro-

C6H5ClN2O2 (172.004)

Phenyl chlorothionocarbonate

C7H5ClOS (171.975)

4,5,7-trifluoro-3H-benzoimidazole

C7H3F3N2 (172.0248)

(6-CHLORO-4-(METHYLAMINO)PYRIDIN-3-YL)METHANOL

C7H9ClN2O (172.0403)

(2-chloro-5-methoxyphenyl)methanol

C8H9ClO2 (172.0291)

2-CHLORO-4-ETHOXYMETHYL-PYRIMIDINE

C7H9ClN2O (172.0403)

N-Hydroxybenzenecarboximidamide hydrochloride (1:1)

C7H9ClN2O (172.0403)

2-(3-chloropyrazin-2-yl)acetic acid

C6H5ClN2O2 (172.004)

6-Amino-4-chloronicotinic acid

C6H5ClN2O2 (172.004)

1-Acetyl-5-methyl-2-thioxo-4-imidazolidinone

C6H8N2O2S (172.0306)

4-Fluorophenacyl chloride

C8H6ClFO (172.0091)

methyl 2,3-difluorobenzoate

C8H6F2O2 (172.0336)

5-(Trifluoromethyl)nicotinonitrile

C7H3F3N2 (172.0248)

Diethyl chlorophosphate

C4H10ClO3P (172.0056)

6-chloro-5-methylpyrimidine-4-carboxylic acid

C6H5ClN2O2 (172.004)

2-(2-fluorophenyl)-acetyl-chloride

C8H6ClFO (172.0091)

3-FLUOROPHENYLACETYL CHLORIDE

C8H6ClFO (172.0091)

4-Fluorophenylacetyl chloride

C8H6ClFO (172.0091)

3,4,5-Trihydroxybenzaldehyde hydrate (1:1)

C7H8O5 (172.0372)

5-Chloropyrazine-2-carboxylic acid hydrazide

C5H5ClN4O (172.0152)

2,2-dichloropentane-1,5-diol

C5H10Cl2O2 (172.0058)

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

C4H4N4O4 (172.0233)

2-amino-6-chloro-pyridine-4-carboxylic acid

C6H5ClN2O2 (172.004)

tetrahydroxy-1,4-quinone hydrate

C6H4O6 (172.0008)

(3-bromothiophen-2-yl)methanol

C7H9ClN2O (172.0403)

methyl 4-chloropyrimidine-5-carboxylate

C6H5ClN2O2 (172.004)

3-Amino-5-chloropicolinic acid

C6H5ClN2O2 (172.004)

3-chloro-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine

C6H5ClN2O2 (172.004)

3-Carboxy-alpha,alpha-difluorotoluene, 3-Carboxybenzal fluoride

C8H6F2O2 (172.0336)

1-CHLORO-4-(ETHYLTHIO)BENZENE

C8H9ClS (172.0113)

1,3-Dichloro-2,2-dimethoxypropane

C5H10Cl2O2 (172.0058)

2-Fluoro-5-methylbenzoyl chloride

C8H6ClFO (172.0091)

1-(2-Amino-2-oxoethyl)pyridinium chloride

C7H9ClN2O (172.0403)

6-(Trifluoromethyl)nicotinonitrile

C7H3F3N2 (172.0248)

2-Chloro-3-methyl-5-nitropyridine

C6H5ClN2O2 (172.004)

2-Chloro-3-nitro-6-methylpyridine

C6H5ClN2O2 (172.004)

2-(Trifluoromethyl)isonicotinonitrile

C7H3F3N2 (172.0248)

methyl 6-chloropyridazine-3-carboxylate

C6H5ClN2O2 (172.004)

2-Chloro-4-methyl-5-nitropyridine

C6H5ClN2O2 (172.004)

(5-Chloro-2-hydroxyphenyl)boronic acid

C6H6BClO3 (172.0099)

2-boronothiophene-3-carboxylic acid

C5H5BO4S (172.0002)

titanium(iv) methoxide

C4H12O4Ti (172.0215)

Sodium O-isobutyl dithiocarbonate

C5H9NaOS2 (171.9993)

(Diaminomethylene)hydrazinium hydrogen sulfate

CH8N4O4S (172.0266)

2-Toluenesulfonic acid

2-Methylbenzenesulfonic acid

C7H8O3S (172.0194)

METHYL 3-HYDRAZINOTHIOPHENE-2-CARBOXYLATE

C6H8N2O2S (172.0306)

2-CYANOPHENYLBORONICACID

C7H8OS2 (172.0017)

Ethyl 2-aminothiazole-4-carboxylate

C6H8N2O2S (172.0306)

6-Chloro-5-nitro-2-picoline

C6H5ClN2O2 (172.004)

3-chloro-4-fluoro-benzamidine

C7H6ClFN2 (172.0204)

METHYL 3,5-DIFLUOROBENZOATE

C8H6F2O2 (172.0336)

4-(Difluoromethoxy)benzaldehyde

C8H6F2O2 (172.0336)

(2-Chloro-5-hydroxyphenyl)boronic acid

C6H6BClO3 (172.0099)

CHLOROMETHYL P-TOLYL SULFIDE

C8H9ClS (172.0113)

Methyl 2,4-difluorobenzoate

C8H6F2O2 (172.0336)

Methyl 2,6-difluorobenzoate

C8H6F2O2 (172.0336)

Pyridazine,3-chloro-6-propoxy-

C7H9ClN2O (172.0403)

Pralidoxime chloride

2-Pyridinealdoxime methochloride

C7H9ClN2O (172.0403)

D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002801 - Cholinesterase Reactivators C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist D020011 - Protective Agents > D000931 - Antidotes D004793 - Enzyme Reactivators