Exact Mass: 171.102114
Exact Mass Matches: 171.102114
Found 500 metabolites which its exact mass value is equals to given mass value 171.102114,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Gabapentin
Gabapentin was originally developed as a chemical analogue of gamma-aminobutyric acid (GABA) to reduce the spinal reflex for the treatment of spasticity and was found to have anticonvulsant activity in various seizure models. In addition, it also displays antinociceptive activity in various animal pain models. Clinically, gabapentin is indicated as an add-on medication for the treatment of partial seizures, and neuropathic pain. It was also claimed to be beneficial in several other clinical disorders such as anxiety, bipolar disorder, and hot flashes. The possible mechanisms or targets involved in the multiple therapeutic actions of gabapentin have been actively studied. Since gabapentin was developed, several hypotheses had been proposed for its action mechanisms. They include selectively activating the heterodimeric GABA(B) receptors consisting of GABA(B1a) and GABA(B2) subunits, selectively enhancing the NMDA current at GABAergic interneurons, or blocking AMPA-receptor-mediated transmission in the spinal cord, binding to the L-alpha-amino acid transporter, activating ATP-sensitive K(+) channels, activating hyperpolarization-activated cation channels, and modulating Ca(2+) current by selectively binding to the specific binding site of [(3)H]gabapentin, the alpha(2)delta subunit of voltage-dependent Ca(2+) channels. Different mechanisms might be involved in different therapeutic actions of gabapentin. In this review, we summarized the recent progress in the findings proposed for the antinociceptive action mechanisms of gabapentin and suggest that the alpha(2)delta subunit of spinal N-type Ca(2+) channels is very likely the analgesic action target of gabapentin. (PMID: 16474201) [HMDB] Gabapentin was originally developed as a chemical analogue of gamma-aminobutyric acid (GABA) to reduce the spinal reflex for the treatment of spasticity and was found to have anticonvulsant activity in various seizure models. In addition, it also displays antinociceptive activity in various animal pain models. Clinically, gabapentin is indicated as an add-on medication for the treatment of partial seizures, and neuropathic pain. It was also claimed to be beneficial in several other clinical disorders such as anxiety, bipolar disorder, and hot flashes. The possible mechanisms or targets involved in the multiple therapeutic actions of gabapentin have been actively studied. Since gabapentin was developed, several hypotheses had been proposed for its action mechanisms. They include selectively activating the heterodimeric GABA(B) receptors consisting of GABA(B1a) and GABA(B2) subunits, selectively enhancing the NMDA current at GABAergic interneurons, or blocking AMPA-receptor-mediated transmission in the spinal cord, binding to the L-alpha-amino acid transporter, activating ATP-sensitive K(+) channels, activating hyperpolarization-activated cation channels, and modulating Ca(2+) current by selectively binding to the specific binding site of [(3)H]gabapentin, the alpha(2)delta subunit of voltage-dependent Ca(2+) channels. Different mechanisms might be involved in different therapeutic actions of gabapentin. In this review, we summarized the recent progress in the findings proposed for the antinociceptive action mechanisms of gabapentin and suggest that the alpha(2)delta subunit of spinal N-type Ca(2+) channels is very likely the analgesic action target of gabapentin. (PMID: 16474201). D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D018692 - Antimanic Agents N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BF - Gabapentinoids D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002491 - Central Nervous System Agents > D000700 - Analgesics
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].
8-(Methylthio)octanenitrile
8-(Methylthio)octanenitrile is found in green vegetables. 8-(Methylthio)octanenitrile is isolated from watercress (Nasturtium officinale). Isolated from watercress (Nasturtium officinale). 8-(Methylthio)octanenitrile is found in green vegetables.
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
2,5-Dihydro-4,5-dimethyl-2-(2-methylpropyl)thiazole
2,5-Dihydro-4,5-dimethyl-2-(2-methylpropyl)thiazole is found in animal foods. 2,5-Dihydro-4,5-dimethyl-2-(2-methylpropyl)thiazole is a component of cooked beef aroma. 2,5-Dihydro-4,5-dimethyl-2-(2-methylpropyl)thiazole is a flavouring ingredient. Component of cooked beef aroma. Flavouring ingredient. 2,5-Dihydro-4,5-dimethyl-2-(2-methylpropyl)thiazole is found in animal foods.
2,5-Dihydro-4,5-dimethyl-2-(1-methylpropyl)thiazole
2,5-Dihydro-4,5-dimethyl-2-(1-methylpropyl)thiazole is a flavouring ingredient. 2,5-Dihydro-4,5-dimethyl-2-(1-methylpropyl)thiazole is reported in hydrolysed vegetable protein. Flavouring ingredient. Reported in hydrolysed vegetable protein
1-Hydroxy-2,2,6,6-tetramethyl-4-piperidinone
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
Moroxydine
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D007004 - Hypoglycemic Agents > D001645 - Biguanides C254 - Anti-Infective Agent > C281 - Antiviral Agent
gabapentin
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D018692 - Antimanic Agents N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BF - Gabapentinoids D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE standard compound; EAWAG_UCHEM_ID 2561
Moroxydine
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D007004 - Hypoglycemic Agents > D001645 - Biguanides C254 - Anti-Infective Agent > C281 - Antiviral Agent relative retention time with respect to 9-anthracene Carboxylic Acid is 0.052 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.050 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.053
2-Acetylamino-4-hydroxy-3-methylpentanoic acid gamma-lactone
gabapentin
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D018692 - Antimanic Agents N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BF - Gabapentinoids D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE standard compound; INTERNAL_ID 1678 CONFIDENCE standard compound; INTERNAL_ID 4114 CONFIDENCE Reference Standard (Level 1)
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
2-Methyl-2-propanyl cis-3-aminocyclobutanecarboxylate
Cyclohexanecarboxylic acid, 2-amino-, ethyl ester, (1S,2R)-
Pyrido[3,2-e]pyrrolo[1,2-a]pyrazine, 5,6-dihydro- (9CI)
Benzenemethanamine, N,.alpha.-dimethyl-, hydrochloride
(5Z)-1-ethyl-5-methoxyiminoimidazolidine-2,4-dione
2,4(1H,3H)-Pyrimidinedione,5-[(2-hydroxyethyl)amino]-
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
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)
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)
(S)-2-Amino-4-methyl-1-((R)-2-methyloxiran-2-yl)pentan-1-one
(1ALPHA,2BETA,5ALPHA)-5-(ISOPROPYL)-2-METHYLCYCLOHEXAN-1-OL
2,2,4,5,5-PENTAMETHYL-3-IMIDAZOLINE-3-OXIDE-1-OXYL, FREE RADICAL
5-oxo-1-propylpyrrolidine-3-carboxylic acid(SALTDATA: FREE)
N-(2-PROPYNYL)-2,3-DIHYDROINDEN-1-AMINE
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors D020011 - Protective Agents
5-Amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carboxylic acid
4-Amino-N-(2-aminoethyl)-1,2,5-oxadiazole-3-carboxamide
3-Cyclohexyl-L-alanine
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
N-[(5-ETHYL-1,3,4-OXADIAZOL-2-YL)METHYL]-N-ISOPROPYLAMINE
5,6,7,8-tetrahydro-5-oxonaphthalene-1-carbonitrile
3-Piperidinecarboxylicacid,1-(1-methylethyl)-(9CI)
3-(cyclopentylamino)-3-oxopropanoic acid(SALTDATA: FREE)
Pyrido[2,3-e]pyrrolo[1,2-a]pyrazine, 4,5-dihydro- (9CI)
(2-ethylpiperidin-1-yl)acetic acid(SALTDATA: FREE)
1H-Benzimidazole-2-acetonitrile,alpha-methyl-(9CI)
(S)-3-Methyl-piperidine-3-carboxylic acid ethyl ester
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
1-Carbamimidoylpiperidine-4-carboxylic acid
C7H13N3O2 (171.10077180000002)
2-Piperidinecarboxylic acid,1-(1-methylethyl)-,(2R)-(9CI)
(1R,2R)-2-Amino-cyclohexanecarboxylic acid ethyl ester
(R)-CARBONOCHLORIDICACID1-AZABICYCLO[2.2.2]OCT-3-YLESTER
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.
[(2S)-1-(hydroxyamino)-3-(2H-imidazol-4-yl)-1-oxopropan-2-yl]azanium
1-Methyl-1H-tetrazol-5-amine, TMS derivative
C5H13N5Si (171.09401780000002)
Diethadione
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent
fatty acid anion 10:0
Any saturated fatty acid anion containing 10 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.
(1r,6r,7ar)-6-hydroxy-hexahydro-1h-pyrrolizine-1-carboxylic acid
6-amino-6,7,8,9-tetrahydro-3h-1,4-diazonine-2,5-diol
C7H13N3O2 (171.10077180000002)
(1-carbamimidoylpyrrolidin-2-yl)acetic acid
C7H13N3O2 (171.10077180000002)
(1r,5s)-4-butyl-6-oxa-3-azabicyclo[3.1.0]hex-2-ene-2,4-diol
6-hydroxy-hexahydro-1h-pyrrolizine-1-carboxylic acid
[(2r)-1-carbamimidoylpyrrolidin-2-yl]acetic acid
C7H13N3O2 (171.10077180000002)
n-[(3r,4r,5s)-4,5-dimethyl-2-oxooxolan-3-yl]ethanimidic acid
4-(2-amino-1-hydroxyethyl)-2-fluorophenol
C8H10FNO2 (171.06955320000003)