Exact Mass: 187.1321
Exact Mass Matches: 187.1321
Found 435 metabolites which its exact mass value is equals to given mass value 187.1321,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
N8-Acetylspermidine
N8-Acetylspermidine is a polyamine. The polyamines, found in virtually all living organisms, are a ubiquitous group of compounds that appear to play a vital role in many cellular processes involving nucleic acids including cell growth and differentiation. The polyamines, found in virtually all living organisms, are a ubiquitous group of compounds that appear to play a vital role in many cellular processes involving nucleic acids including cell growth and differentiation. Acetylation on the terminal nitrogen adjacent to the 4-carbon chain produces N8-acetylspermidine. This reaction is catalyzed by spermidine N8-acetyltransferase and does not result in the conversion of spermidine to putrescine but, instead, the product undergoes deacetylation. This acetyltransferase appears to be associated with chromatin in the cell nucleus and has been reported to be the same as (or related to) the enzyme(s) responsible for histone acetylation. N8-Acetylspermidine does not accumulate in tissues but rather appears to be rapidly deacetylated back to spermidine by a relatively specific cytosolic deacetylase, N8-acetylspermidine deacetylase. The function of this N8-acetylation/deacetylation pathway in cellular processes is not understood clearly, but several observations have suggested a role in cell growth and differentiation. (PMID: 12093478) [HMDB] N8-Acetylspermidine is a polyamine. The polyamines, found in virtually all living organisms, are a ubiquitous group of compounds that appear to play a vital role in many cellular processes involving nucleic acids including cell growth and differentiation. Acetylation on the terminal nitrogen adjacent to the 4-carbon chain produces N8-acetylspermidine. This reaction is catalyzed by spermidine N8-acetyltransferase and does not result in the conversion of spermidine to putrescine. Instead, the product undergoes deacetylation. This acetyltransferase appears to be associated with chromatin in the cell nucleus and has been reported to be the same as (or related to) the enzyme(s) responsible for histone acetylation. N8-Acetylspermidine does not accumulate in tissues but rather appears to be rapidly deacetylated back to spermidine by a relatively specific cytosolic deacetylase, N8-acetylspermidine deacetylase. The function of this N8-acetylation/deacetylation pathway in cellular processes is not understood clearly, but several observations have suggested a role in cell growth and differentiation (PMID: 12093478). KEIO_ID A112
Selegiline
A selective, irreversible inhibitor of Type B monoamine oxidase. It is used in newly diagnosed patients with Parkinsons disease. It may slow progression of the clinical disease and delay the requirement for levodopa therapy. It also may be given with levodopa upon onset of disability. (From AMA Drug Evaluations Annual, 1994, p385) The compound without isomeric designation is Deprenyl. [PubChem] INTERNAL_ID 948; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5917; ORIGINAL_PRECURSOR_SCAN_NO 5916 CONFIDENCE standard compound; INTERNAL_ID 948; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5948; ORIGINAL_PRECURSOR_SCAN_NO 5946 CONFIDENCE standard compound; INTERNAL_ID 948; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5965; ORIGINAL_PRECURSOR_SCAN_NO 5963 CONFIDENCE standard compound; INTERNAL_ID 948; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5911; ORIGINAL_PRECURSOR_SCAN_NO 5909 CONFIDENCE standard compound; INTERNAL_ID 948; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5941; ORIGINAL_PRECURSOR_SCAN_NO 5940 CONFIDENCE standard compound; INTERNAL_ID 948; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5953; ORIGINAL_PRECURSOR_SCAN_NO 5952 CONFIDENCE standard compound; INTERNAL_ID 948; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5917; ORIGINAL_PRECURSOR_SCAN_NO 5916 N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents > N04BD - Monoamine oxidase b inhibitors D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 3275 CONFIDENCE standard compound; INTERNAL_ID 2119 D020011 - Protective Agents
N1-Acetylspermidine
N1-Acetylspermidine is a polyamine. In many organisms, polyamines originate from L-ornithine and methionine. Ornithine decarboxylase (EC 4.1.1.17), a key enzyme in polyamine metabolism, decarboxylates L-ornithine to yield putrescine which is then converted to higher polyamines spermidine and spermine by successive addition of aminopropyl groups derived from decarboxylated S-adenosylmethionine. Aliphatic polyamines occur ubiquitously in organisms and have important functions in the stabilization of cell membranes, biosynthesis of informing molecules, cell growth and differentiation, as well as adaptation to osmotic, ionic, pH and thermal stress. These cationic substances are implicated in multiple functions, therefore it is not surprising that intracellular levels of polyamines are regulated by different mechanisms. The inhibition of polyamine metabolism has important pharmacological and therapeutic implications for the control of physiological processes, reproduction, cancer and parasitic diseases. Recent reports have suggested the idea that parasites with an high turnover of Ornithine Decarboxilase (ODC) are resistant to Difluoromethyl ornithine (DFMO, the irreversible inhibitor of ornithine decarboxylase) because they always contain a fraction of newly synthesized and active enzyme, therefore not DFMO inhibited, sufficient to produce small amounts of putrescine rapidly converted into spermidine, which can support protozoan proliferation. DFMO has proved to be curative in trypanosomiasis, coccidiosis, and certain other protozoan infections. (PMID: 15490259). N1-Acetylspermidine is a polyamine. In many organisms, polyamines originate from L-ornithine and methionine. Ornithine decarboxylase (EC 4.1.1.17), a key enzyme in polyamine metabolism, decarboxylates L-ornithine to yield putrescine which is then converted to higher polyamines spermidine and spermine by successive addition of aminopropyl groups derived from decarboxylated S-adenosylmethionine.
8-Amino-7-oxononanoic acid
8-Amino-7-oxononanoic acid, also known as 7-keto-8-aminopelargonic acid (7-KAP) or KAPA, belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. 8-Amino-7-oxononanoic acid has been identified in urine (PMID: 22409530).
2-Keto-6-acetamidocaproate
2-Keto-6-acetamidocaproate is an intermediate in lysine degradation. It can be generated from N6-acetyl-L-lysine. N-acetyl-lysine is an acetylated amino acid. Post-translational lysine-acetylation is one of two major modifications of lysine residues in various proteins. Acetylation of specific lysine residues in the N-terminal domains of core histones is a biochemical marker of active genes. Acetylation is now known to play a major role in eukaryotic transcription. Specifically, acetyltransferase enzymes that act on particular lysine side chains of histones and other proteins are intimately involved in transcriptional activation. N6-acetyl-L-lysine can be converted to 2-Keto-6-acetamidocaproate via the enzyme N6-acetyllysine aminotransferase and then 2-keto-6-acetamidocaproate can be reduced enzymatically to 5-acetamidovalerate. [HMDB] 2-Keto-6-acetamidocaproate is an intermediate in lysine degradation. It can be generated from N6-acetyl-L-lysine. N-acetyl-lysine is an acetylated amino acid. Post-translational lysine-acetylation is one of two major modifications of lysine residues in various proteins. Acetylation of specific lysine residues in the N-terminal domains of core histones is a biochemical marker of active genes. Acetylation is now known to play a major role in eukaryotic transcription. Specifically, acetyltransferase enzymes that act on particular lysine side chains of histones and other proteins are intimately involved in transcriptional activation. N6-acetyl-L-lysine can be converted to 2-Keto-6-acetamidocaproate via the enzyme N6-acetyllysine aminotransferase and then 2-keto-6-acetamidocaproate can be reduced enzymatically to 5-acetamidovalerate.
Amantadine hydrochloride
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent C93038 - Cation Channel Blocker Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
N-Heptanoylglycine
N-Heptanoylglycine is an acylglycine with C-7 fatty acid group as the acyl moiety. Acylglycines 1 possess a common amidoacetic acid moiety and are normally minor metabolites of fatty acids. Elevated levels of certain acylglycines appear in the urine and blood of patients with various fatty acid oxidation disorders. They are normally produced through the action of glycine N-acyltransferase which is an enzyme that catalyzes the chemical reaction: acyl-CoA + glycine ↔ CoA + N-acylglycine. N-Heptanoylglycine is an acylglycine with C-7 fatty acid group as the acyl moiety.
2,3-Dihydro-5-(5-methyl-2-furanyl)-1H-pyrrolizine
Proline-derived Maillard product. Proline-derived Maillard product
(3R)-3-Hydroxy-N-[(3S)-2-oxooxolan-3-yl]butanamide
1-Hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid
1-Methyl-4-(2'-methylphenyl)-1,2,3,6-tetrahydropyridine
Benzoguanamine
CONFIDENCE standard compound; INTERNAL_ID 1063; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5539; ORIGINAL_PRECURSOR_SCAN_NO 5538 CONFIDENCE standard compound; INTERNAL_ID 1063; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5533; ORIGINAL_PRECURSOR_SCAN_NO 5532 CONFIDENCE standard compound; INTERNAL_ID 1063; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5545; ORIGINAL_PRECURSOR_SCAN_NO 5543 CONFIDENCE standard compound; INTERNAL_ID 1063; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5573; ORIGINAL_PRECURSOR_SCAN_NO 5572 CONFIDENCE standard compound; INTERNAL_ID 1063; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5582; ORIGINAL_PRECURSOR_SCAN_NO 5577 CONFIDENCE standard compound; INTERNAL_ID 1063; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5569; ORIGINAL_PRECURSOR_SCAN_NO 5568
Et glycoside,tosylate salt-alpha-D-Pyranose-4-Dimethylamino-2,3,4,6-tetradeoxy-threo-hexose
1-(1-Hydroxyethyl)-4-isocyano-4-cyclopentene-1,2,3-triol
1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-amine
Deprenyl
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors D020011 - Protective Agents CONFIDENCE Parent Substance with Reference Standard (Level 1); INTERNAL_ID 500
Selegiline
N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents > N04BD - Monoamine oxidase b inhibitors D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor D020011 - Protective Agents
N,N,N-TRIMETHYL-1-PHENYLMETHANAMINIUM FLUORIDE HYDRATE
4,5,6,7-TETRAHYDRO-7,7-DIMETHYL-1H-PYRAZOLO[4,3-C]PYRIDINEHYDROCHLORIDE
Pyrimido[1,2-a]benzimidazole, 1,2,3,4-tetrahydro-7-methyl- (9CI)
Pyrimido[1,2-a]benzimidazole, 1,2,3,4-tetrahydro-1-methyl- (9CI)
1-(2-PHENYL-2-ETHOXY)ETHYL-4-(2-BENZOYL)PROPYLPIPERAZINE
1,4-Dimethyl-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile
tert-butyl 3-hydroxy-3-methylazetidine-1-carboxylate
METHYL 2-AMINO-3-(TETRAHYDRO-2H-PYRAN-4-YL)PROPANOATE
Pivagabine
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants Pivagabine (CXB 722) is a hydrophobic 4-aminobutyric acid derivative with neuromodulatory activity. Pivagabine penetrates the blood-brain barrier in rats. Pivagabine antagonizes the effects of foot shock on both GABAA receptor function and corticotropin-releasing factor (CRF) concentrations in rat brain[1][2].
Pyrido[1,2-a]benzimidazol-6-amine, 1,2,3,4-tetrahydro- (9CI)
Pyrido[1,2-a]benzimidazol-9-amine, 1,2,3,4-tetrahydro- (9CI)
Pyrido[4,3:4,5]pyrrolo[1,2-a]pyrazine, 1,2,3,4-tetrahydro-2-methyl- (9CI)
tert-butyl N-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]carbamate
TERT-BUTYL TRANS-(2-HYDROXYMETHYL)CYCLOPROPYLCARBAMATE
2,3,4,5-TETRAHYDRO-1H-BENZO[4,5]IMIDAZO[1,2-D][1,4]DIAZEPINE
(2R,5S)-5-(METHOXYCARBONYL)PIPERIDINE-2-CARBOXYLIC ACID
2-(1-phenyl-1H-pyrazol-4-yl)ethanamine(SALTDATA: HCl)
2-Hydroxymethyl-azetidine-1-carboxylic acid tert-butyl ester
2-Methyl-2-propanyl (3S)-tetrahydro-3-furanylcarbamate
2-Propen-1-aminium-,N-methyl-N,N-di-2-propenyl-,chloride
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
1H-Imidazo[1,2-a]benzimidazole,2,3-dihydro-6,7-dimethyl-(9CI)
D-Glucose-C-d7, Deuterated Glucose, Dextrose-C-d7, Labeled Glucose
Tetrazolo[1,5-a]quinoxaline, 4,5-dihydro-6-methyl- (9CI)
N-METHYL-N-[(1-PHENYL-1H-PYRAZOL-4-YL)METHYL]AMINE
1-[3-(AMINOMETHYL)BENZYL]-1H-PYRAZOLE 97+3-(1H-PYRAZOL-1-YLMETHYL)BENZYLAMINE
2-(3-Azetidinyloxy)acetic acid 1,1-dimethylethyl ester
Tetrazolo[1,5-a]quinoxaline, 4,5-dihydro-5-methyl- (9CI)
1,3,5-Triazino[1,2-a]benzimidazol-2-amine,1,4-dihydro-(9CI)
Piperidine,4-(1H-pyrazol-4-yl)-, hydrochloride (1:2)
2-Methyl-2-propanyl 2-(hydroxyimino)-3-oxobutanoate
6-METHYL-1,2,3,4-TETRAHYDRO-BENZOFURO[2,3-C]PYRIDINE
1-(METHYLAMINO)-3-(4-METHYLPIPERAZIN-1-YL)-2-PROPANOL
1-Piperidinecarboxylic acid,3-(hydroxymethyl)-,ethyl ester
1-Methyl-4-(2-methylphenyl)-1,2,3,6-tetrahydropyridine
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists
2,4,4,6-Tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile
2,3-Dihydro-5-(5-methyl-2-furanyl)-1H-pyrrolizine
Proline-derived Maillard product. Proline-derived Maillard product
3-Hydroxydecanoate
A 3-hydroxy fatty acid anion that is the conjugate base of 3-hydroxydecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(3R,6S)-6-hydroxy-3,7-dimethyloctanoate
A hydroxy fatty acid anion that is the conjugate base of (3R,6S)-6-hydroxy-3,7-dimethyloctanoic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.
6-Hydroxy-3,7-dimethyloctanoate
A hydroxy fatty acid anion that is the conjugate base of 6-hydroxy-3,7-dimethyloctanoic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.
(3R)-3-Hydroxy-N-[(3S)-2-oxooxolan-3-yl]butanamide
(2S,5S)-5-(2-carboxyethyl)pyrrolidine-2-carboxylic acid
1-Cyano-8-(methylsulfinyl)heptane
A member of the class of aliphatic nitriles that is octanenitrile in which one of the methyl hydrogens at position 8 has been replaced by a methylsulfinyl group.
Streptazone E
A member of the class of cyclopentapyridines that is 2,3,4,5-tetrahydro-1H-cyclopenta[b]pyridine substituted by an oxo group at position 4 and by a (2E)-but-2-en-1-ylidene group at position 5. It is a polyketide natural product found in Streptomyces sp.
N(omega)-methyl-L-argininate
A L-alpha-amino acid anion obtained by deprotonation of the carboxy group of N(omega)-methyl-L-arginine.
(3S,6R)-6-hydroxy-3,7-dimethyloctanoate
A hydroxy fatty acid anion that is the conjugate base of (3S,6R)-6-hydroxy-3,7-dimethyloctanoic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.
5-[[Amino(methylazaniumylidene)methyl]amino]-2-oxopentanoate
5-[(N-methylcarbamimidoyl)amino]-2-oxopentanoic acid
8-Amino-7-oxononanoic acid
The 8-amino-7-oxo derivative of nonanoic acid.
6-acetamido-2-oxohexanoic acid
A member of the class of acetamides that is the acetyl derivative of 6-amino-2-oxohexanoic acid.
N(8)-Acetylspermidine
An acetylspermidine that is 1,8-diamino-4-azaoctane in which one of the hydrogens of the amino group attached to C-8 is replaced by an acetyl group.
N(1)-Acetylspermidine
An acetylspermidine having the acetyl group at the N1-position.
8-amino-7-oxononanoic acid zwitterion
Zwitterionic form of 8-amino-7-oxononanoic acid having an anionic carboxy group and a protonated nitrogen.
5-(but-2-en-1-ylidene)-1h,2h,3h-cyclopenta[b]pyridin-4-one
(1s,2r,3s,5s,7ar)-3-(hydroxymethyl)-5-methyl-hexahydro-1h-pyrrolizine-1,2-diol
(1r,2r,3r,5r,7ar)-3-(hydroxymethyl)-5-methyl-hexahydro-1h-pyrrolizine-1,2-diol
2H-benz[e]indol-2-one,1,3,3a,4,5,9b-hexahydro-
{"Ingredient_id": "HBIN005656","Ingredient_name": "2H-benz[e]indol-2-one,1,3,3a,4,5,9b-hexahydro-","Alias": "NA","Ingredient_formula": "C12H13NO","Ingredient_Smile": "C1CC2=CC=CC=C2C3C1NC(=O)C3","Ingredient_weight": "187.24 g/mol","OB_score": "44.55844229","CAS_id": "NA","SymMap_id": "SMIT11943","TCMID_id": "NA","TCMSP_id": "MOL010984","TCM_ID_id": "NA","PubChem_id": "604445","DrugBank_id": "NA"}
