Exact Mass: 171.0717808
Exact Mass Matches: 171.0717808
Found 500 metabolites which its exact mass value is equals to given mass value 171.0717808,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Metronidazole
A nitroimidazole used to treat amebiasis; vaginitis; trichomonas infections; giardiasis; anaerobic bacteria; and treponemal infections. It has also been proposed as a radiation sensitizer for hypoxic cells. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985, p133), this substance may reasonably be anticipated to be a carcinogen (Merck, 11th ed). CONFIDENCE standard compound; INTERNAL_ID 515; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3637; ORIGINAL_PRECURSOR_SCAN_NO 3636 CONFIDENCE standard compound; INTERNAL_ID 515; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3617; ORIGINAL_PRECURSOR_SCAN_NO 3614 CONFIDENCE standard compound; INTERNAL_ID 515; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3589; ORIGINAL_PRECURSOR_SCAN_NO 3584 CONFIDENCE standard compound; INTERNAL_ID 515; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3614; ORIGINAL_PRECURSOR_SCAN_NO 3612 CONFIDENCE standard compound; INTERNAL_ID 515; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3612; ORIGINAL_PRECURSOR_SCAN_NO 3609 G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases > P01AB - Nitroimidazole derivatives A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01X - Other antibacterials > J01XD - Imidazole derivatives D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents CONFIDENCE standard compound; INTERNAL_ID 1069 C784 - Protein Synthesis Inhibitor Metronidazole is an orally active nitroimidazole antibiotic. Metronidazole can cross blood brain barrier. Metronidazole can be used for the research of anaerobic infections[1][2][3][4].
Tetrahydrodipicolinate
Tetrahydrodipicolinate (CAS: 2353-17-5), converted from L-aspartate, is an important intermediate in the lysine biosynthesis pathway. Several pathways are now recognized in bacteria, most algae, fungi, and higher plants for the biosynthesis of lysine. They are divided into two groups: (1) the diaminopimelate (DAP) pathways, and (2) the alpha-aminoadipate (AAA) pathways. In the pathways that belong to the DAP group, lysine is produced from aspartate (along with methionine, threonine, and isoleucine). All of these pathways share the upper segments, which include the four steps required for the conversion of L-aspartate into tetrahydrodipicolinate. They also share the last step, which is the conversion of the intermediate meso-diaminopimelate (D,L-DAP, or meso-DAP) into lysine. However, these pathways differ in the routes leading from tetrahydrodipicolinate to meso-diaminopimelate. The four variations include: (I) the succinylase variant, which involves succinylated intermediates, where tetrahydrodipicolinate is converted into meso-diaminopimelate in four enzymatic steps; (II) the acetylase variant, which involves acetylated intermediates, where tetrahydrodipicolinate is converted into meso-diaminopimelate in four enzymatic steps; (III) the dehydrogenase variant, in which tetrahydrodipicolinate is converted into meso-diaminopimelate in a single enzymatic step; and (IV) the diaminopimelate-aminotransferase variant, in which tetrahydrodipicolinate is converted into meso-diaminopimelate in two steps. In addition to lysine, the pathways in this group also produce meso-DAP, which is an important metabolite on its own.
Rasagiline
Rasagiline is only found in individuals that have used or taken this drug. It is an irreversible inhibitor of monoamine oxidase and is used as a monotherapy in early Parkinsons disease or as an adjunct therapy in more advanced cases.The precise mechanisms of action of rasagiline is unknown. One mechanism is believed to be related to its MAO-B inhibitory activity, which causes an increase in extracellular levels of dopamine in the striatum. The elevated dopamine level and subsequent increased dopaminergic activity are likely to mediate rasagilines beneficial effects seen in models of dopaminergic motor dysfunction. N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents > N04BD - Monoamine oxidase b inhibitors D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor D020011 - Protective Agents
1-Methyl-4-phenyl-2H-pyridine
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
6-Diazo-5-oxo-L-norleucine
6-Diazo-5-oxo-L-nor-Leucine (L-6-Diazo-5-oxonorleucine; DON) is a glutamine antagonist that irreversibly inhibits the catabolic effect of glutamine. 6-Diazo-5-oxo-L-nor-Leucine shows good anticancer activity (especially in pancreatic cancer) and reduces the self-renewal potential and metastatic capacity of tumour cells. 6-Diazo-5-oxo-L-nor-Leucine also possesses antibacterial and antiviral activity[1][2][3].
4-(2-Aminoethyl)-5-fluoro-1,2-benzenediol
C8H10FNO2 (171.06955320000003)
Diethadione
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent
1-naphthoate
1-naphthoate, also known as 1-naphthoic acid, is a member of the class of compounds known as naphthalenecarboxylic acids. Naphthalenecarboxylic acids are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. 1-naphthoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 1-naphthoate can be found in a number of food items such as coconut, mountain yam, broad bean, and kombu, which makes 1-naphthoate a potential biomarker for the consumption of these food products.
2-Acetylamino-4-hydroxy-3-methylpentanoic acid gamma-lactone
(R)-3-(1,2-dihydroxyethyl)-4-methyl-1H-pyrrole-2,5-dione|heliolactam
(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl formate
Me ester-5-Hydroxy-4-methoxymethyl-1H-pyrrole-3-carboxylic acid
5-Hydroxy-4-methoxy-1H-pyrrole-3-carboxylic acid methyl ester
metronidazole
A member of the class of imidazoles substituted at C-1, -2 and -5 with 2-hydroxyethyl, nitro and methyl groups respectively. It has activity against anaerobic bacteria and protozoa, and has a radiosensitising effect on hypoxic tumour cells. It may be given by mouth in tablets, or as the benzoate in an oral suspension. The hydrochloride salt can be used in intravenous infusions. Metronidazole is a prodrug and is selective for anaerobic bacteria due to their ability to intracellularly reduce the nitro group of metronidazole to give nitroso-containing intermediates. These can covalently bind to DNA, disrupting its helical structure, inducing DNA strand breaks and inhibiting bacterial nucleic acid synthesis, ultimately resulting in bacterial cell death. G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases > P01AB - Nitroimidazole derivatives A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01X - Other antibacterials > J01XD - Imidazole derivatives D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C784 - Protein Synthesis Inhibitor KEIO_ID M033 CONFIDENCE standard compound; EAWAG_UCHEM_ID 197 Metronidazole is an orally active nitroimidazole antibiotic. Metronidazole can cross blood brain barrier. Metronidazole can be used for the research of anaerobic infections[1][2][3][4].
Rasagiline
N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents > N04BD - Monoamine oxidase b inhibitors D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor D020011 - Protective Agents
4-(3-chloro-2-methylprop-1-enyl)-2-methyl-1,3-oxazole
Pyrido[3,2-e]pyrrolo[1,2-a]pyrazine, 5,6-dihydro- (9CI)
3-Dimethylamino-2-methylpropyl chloride hydrochloride
Benzenemethanamine, N,.alpha.-dimethyl-, hydrochloride
(5Z)-1-ethyl-5-methoxyiminoimidazolidine-2,4-dione
2,4(1H,3H)-Pyrimidinedione,5-[(2-hydroxyethyl)amino]-
4-Methyl-5-oxo-4,5-dihydro-isoxazole-3-carboxylic acid ethyl ester
1-amino-3-(2-furylmethoxy)propan-2-ol(SALTDATA: FREE)
4-(4,5-DIHYDRO-1 H-IMIDAZOL-2-YLAMINO)-BUTYRIC ACID
C7H13N3O2 (171.10077180000002)
(r)-(-)-n-methyl-1-phenyl-2-(1-pyrrolidino)ethylamine
Ethanone, 2-chloro-1-(2,5-dimethyl-1H-pyrrol-3-yl)- (9CI)
4-CYCLOPROPYLAMINOMETHYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-Piperidinecarboxylic acid, 1-acetyl-, (R)- (9CI)
N-Propargyl-1(S)-aminoindan
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors D020011 - Protective Agents
N-(3-AMINOPHENYL)-2-METHOXYACETAMIDE
C7H13N3O2 (171.10077180000002)
2,2-Difluorocyclohexanamine hydrochloride (1:1)
C6H12ClF2N (171.06262859999998)
5-(Aminomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
1H-Benzimidazole-5-carbonitrile,1,2-dimethyl-(9CI)
(1,3-DIOXO-3,4-DIHYDROISOQUINOLIN-2(1H)-YL)ACETICACID
4,4-Difluorocyclohexanamine Hydrochloride
C6H12ClF2N (171.06262859999998)
(1ALPHA,2BETA,5ALPHA)-5-(ISOPROPYL)-2-METHYLCYCLOHEXAN-1-OL
5-oxo-1-propylpyrrolidine-3-carboxylic acid(SALTDATA: FREE)
5-Amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carboxylic acid
4-Amino-N-(2-aminoethyl)-1,2,5-oxadiazole-3-carboxamide
1-[5-(methylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
Methyl 4-methoxy-5-methyl-1,3-oxazole-2-carboxylate
5,6,7,8-tetrahydro-5-oxonaphthalene-1-carbonitrile
3-(cyclopentylamino)-3-oxopropanoic acid(SALTDATA: FREE)
Pyrido[2,3-e]pyrrolo[1,2-a]pyrazine, 4,5-dihydro- (9CI)
5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidine hydrochloride
1H-Benzimidazole-2-acetonitrile,alpha-methyl-(9CI)
1-BENZYLAMINO-CYCLOHEXANECARBOXYLICACIDHYDROCHLORIDE
6-OXO-5,6,7,8-TETRAHYDRO-NAPHTHALENE-2-CARBONITRILE
5-((1-METHOXYPROPAN-2-YL)OXY)-1H-PYRAZOL-3-AMINE
C7H13N3O2 (171.10077180000002)
2,3,4,5,6-pentadeuterio-1-(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)pyridin-1-ium,chloride
L-DON
A non-proteinogenic L-alpha-amino acid that is L-norleucine which is substituted at position 5 by an oxo group and at position 6 by a diazo group. It is as inhibitor of various glutamine-utilising enzymes. C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2133 - Cytidine Triphosphate Synthetase Inhibitor D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents 6-Diazo-5-oxo-L-nor-Leucine (L-6-Diazo-5-oxonorleucine; DON) is a glutamine antagonist that irreversibly inhibits the catabolic effect of glutamine. 6-Diazo-5-oxo-L-nor-Leucine shows good anticancer activity (especially in pancreatic cancer) and reduces the self-renewal potential and metastatic capacity of tumour cells. 6-Diazo-5-oxo-L-nor-Leucine also possesses antibacterial and antiviral activity[1][2][3].
1H-Pyrrole-1-carboxylicacid,2,5-dihydro-3-(hydroxymethyl)-,ethylester
4-(DIFLUOROMETHYL)PIPERIDINE HYDROCHLORIDE
C6H12ClF2N (171.06262859999998)
2-(chloromethyl)-3,5-dimethyl-1-oxidopyridin-1-ium
1-Carbamimidoylpiperidine-4-carboxylic acid
C7H13N3O2 (171.10077180000002)
N-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide
ethyl 5-(aminomethyl)-1,2,4-oxadiazole-3-carboxylate
Tert-butyl 2-cyano-2-methylhydrazinecarboxylate
C7H13N3O2 (171.10077180000002)
9-Oxononanoate
An aldehydic acid anion that is the conjugate base of 9-oxononanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(4S,5R)-5-azaniumyl-4-hydroxy-3-oxocyclohex-1-ene-1-carboxylate
[(2S)-1-(hydroxyamino)-3-(2H-imidazol-4-yl)-1-oxopropan-2-yl]azanium
(Z)-2-((N-methylformamido)methylene)-5-hydroxybutanolactone
1-Methyl-1H-tetrazol-5-amine, TMS derivative
C5H13N5Si (171.09401780000002)
(S)-2,3,4,5-tetrahydrodipicolinic acid
The (2S)-stereoisomer of 2,3,4,5-tetrahydrodipicolinic acid.
5-amino-5-deoxy-3-dehydroshikimic acid zwitterion
An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 5-amino-5-deoxy-3-dehydroshikimic acid; major species at pH 7.3.
Hydantoin-5-propionate
A monocarboxylic acid anion that is the conjugate base of hydantoin-5-propionic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Diethadione
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent
2,3,4,5-tetrahydrodipicolinic acid
An amino dicarboxylic acid consisting of 2,3,4,5-tetrahydrodipyridine having two carboxy groups at the 2- and 6-positions.
5-amino-5-deoxy-3-dehydroshikimic acid
A gamma-amino acid that is shikimic acid in which the 3- and 5-hydroxy group are replaced by oxo and amino groups respectively.