Exact Mass: 231.1834
Exact Mass Matches: 231.1834
Found 292 metabolites which its exact mass value is equals to given mass value 231.1834,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Aminophenazone
Aminophenazone is only found in individuals that have used or taken this drug. It is a pyrazolone with analgesic, anti-inflammatory, and antipyretic properties but has risk of agranulocytosis. A breath test with 13C-labeled aminopyrine has been used as a non-invasive measure of cytochrome P-450 metabolic activity in liver function tests. [PubChem]Aminophenazone is metabolized very slowly by normal newborn babies. In older infants, a higher amount of exhaled 13-CO2 is observed. N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BB - Pyrazolones C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic CONFIDENCE standard compound; EAWAG_UCHEM_ID 702 KEIO_ID A069; [MS3] KO008857 KEIO_ID A069; [MS2] KO008856 KEIO_ID A069
Butyrylcarnitine
Butyrylcarnitine, also known as (3R)-3-(butyryloxy)-4-(trimethylammonio)butanoate or L-carnitine butyryl ester, is classified as a member of the acylcarnitines. Acylcarnitines are organic compounds containing a fatty acid with the carboxylic acid attached to carnitine through an ester bond. Butyrylcarnitine is considered to be practically insoluble (in water) and acidic. Butyrylcarnitine is elevated in patients with short-chain acyl-CoA dehydrogenase (SCAD) deficiency, in infants with acute acidosis and generalized muscle weakness, and in middle-aged patients with chronic myopathy localized in muscle (OMIM: 201470). Butyrylcarnitine is elevated in patients with acyl-coa dehydrogenase, short-chain (SCAD) deficiencyin; in infants with acute acidosis and generalized muscle weakness; and in middle-aged patients with chronic myopathy localized in muscle. (OMIM 201470) [HMDB] Butyrylcarnitine is a metabolite in plasma, acts as a biomarker to improve the diagnosis and prognosis of heart failure, and is indicative of anomalous lipid and energy metabolism.
Metazocine
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
Isobutyrylcarnitine (C4)
Isobutyryl-L-carnitine is an acylcarnitine. More specifically, it is an isobutyric acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. Isobutyryl-L-carnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine isobutyryl-L-carnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. In particular isobutyryl-L-carnitine is elevated in the blood or plasma of individuals with isobutyryl-coa dehydrogenase deficiency (PMID: 20591710), glutaric aciduria type 2 (PMID: 20591710), ethylmalonic encephalopathy (PMID: 20591710), and gestational diabetes mellitus (PMID: 29626588). It is also decreased in the blood or plasma of individuals with traumatic brain injury (PMID: 23560894). Isobutyryl-L-carnitine is elevated in the urine of individuals with glutaric aciduria type 2 (PMID: 2288224), multiple acyl-CoA dehydrogenation deficiency (PMID: 3383426), and acute coronary syndrome (PMID: 30316136). Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews]. Isobutyryl-L-carnitine is a product of the acyl-CoA dehydrogenases (ACADs), which are a group of mitochondrial enzymes involved in the metabolism of fatty acids or branched-chain amino acids. (OMIM 600301 ) [HMDB] Isobutyrylcarnitine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=25518-49-4 (retrieved 2024-06-29) (CAS RN: 25518-49-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Rotundine A
Rotundine A is found in root vegetables. Rotundine A is an alkaloid from the rhizomes of Cyperus rotundus (nutgrass). Alkaloid from the rhizomes of Cyperus rotundus (nutgrass). Rotundine A is found in root vegetables.
(2E,4E,6Z)-2,4,6-Decatrienoic acid dehydropiperidide
(2E,4E,6Z)-2,4,6-Decatrienoic acid dehydropiperidide is found in herbs and spices. (2E,4E,6Z)-2,4,6-Decatrienoic acid dehydropiperidide is an alkaloid from Achillea millefolium (yarrow). Alkaloid from Achillea millefolium (yarrow). (2E,4E,6Z)-2,4,6-Decatrienoic acid dehydropiperidide is found in herbs and spices.
gamma-Aminobutyryllysine
gamma-Aminobutyryllysine, also known as N2-(4-amino-1-oxobutyl)-lysine, belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. gamma-Aminobutyryllysine is a very strong basic compound (based on its pKa). gamma-Aminobutyryllysine is a dipeptide present in the human brain. This dipeptide occurs in much higher concentrations in the human brain than in the brains of lower mammals (PMID: 5559257). Adult brain and cerebrospinal fluid gamma-aminobutyryllysine levels and adult brain homocarnosine levels are higher than those found in children (PMID: 5031796). g-Aminobutyryl-lysine is a dipeptide present in human brain. This dipeptide occurs in much higher concentrations in human brain than in the brains of lower mammals. (PMID 5559257 )
N-Cyano-N'-(1,1-dimethylpropyl)-N'-(3-pyridinyl)guanidine
[R-(R*,R*)]-4-(1-Isocyano-1,5-dimethyl-4-hexenyl)-1-methyl-cyclohexene
Acanthellin 1
6-Isocyano-4(15)-eudesmene
Stylotelline
Axisonitrile 1
N-cyano-N-(1,1-dimethylpropyl)-N-3-pyridinyl-guanidine
O-isobutyrylcarnitine
An O-acylcarnitine having isobutyryl as the acyl substituent.
6-(3-Furyl)-3,9-dimethyl-1,3,4,8,9,9a-hexahydro-2H-quinolizine #
2-Decene-4,6-diynoic acid-2-Methylpropylamide, N-Me
Me glycoside,N-Ac,N-Me-alpha-D-Pyranose-4-Amino-2,4,6-trideoxy-3-O-methyl-ribo-hexose
(Z)-N-isobutyl undeca-2-ene-8,10-diynamide|(Z)-N-isobutylundeca-2-en-8,10-diynamide|(Z)-N-isobutylundeca-2-ene-8,10-diynamide|2-Methylpropylamide-(Z)-2-Undecene-8,10-diynoic acid|undeca-2Z-en-8,10-diynoic acid isobutylamide|undeca-2Z-ene-8,10-diynoic acid isobutylamide|Z-N-isobutyl undeca-2-ene-8,10-diynamide
(4aS*,8aR*,8aS*)-1,4,4a,5,6,7,8,8a,9,9a-decahydro-3,8a-dimethyl-5-methylidene-2H-benzo[f]indol-2-one|taenialactam A
1-((5R,8R)-6,7,8,9-tetrahydro-2,5-dimethyl-5H-cyclohepta[b]pyridin-8-yl)propan-1-one|rupestine B
longipinamide A|N-isobutyl-8,10-diynoic-3Z-undecenamide
Aminopyrine
N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BB - Pyrazolones C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic CONFIDENCE standard compound; INTERNAL_ID 663; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3407; ORIGINAL_PRECURSOR_SCAN_NO 3405 CONFIDENCE standard compound; INTERNAL_ID 663; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3425; ORIGINAL_PRECURSOR_SCAN_NO 3421 CONFIDENCE standard compound; INTERNAL_ID 663; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3402; ORIGINAL_PRECURSOR_SCAN_NO 3401 CONFIDENCE standard compound; INTERNAL_ID 663; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3417; ORIGINAL_PRECURSOR_SCAN_NO 3413 CONFIDENCE standard compound; INTERNAL_ID 663; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3416; ORIGINAL_PRECURSOR_SCAN_NO 3413 CONFIDENCE standard compound; INTERNAL_ID 663; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3412; ORIGINAL_PRECURSOR_SCAN_NO 3409 CONFIDENCE standard compound; INTERNAL_ID 663; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4497; ORIGINAL_PRECURSOR_SCAN_NO 4496 CONFIDENCE standard compound; INTERNAL_ID 663; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4515; ORIGINAL_PRECURSOR_SCAN_NO 4514 CONFIDENCE standard compound; INTERNAL_ID 663; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4531; ORIGINAL_PRECURSOR_SCAN_NO 4530 CONFIDENCE standard compound; INTERNAL_ID 663; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4525; ORIGINAL_PRECURSOR_SCAN_NO 4523 CONFIDENCE standard compound; INTERNAL_ID 663; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4544; ORIGINAL_PRECURSOR_SCAN_NO 4542 CONFIDENCE standard compound; INTERNAL_ID 663; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4527; ORIGINAL_PRECURSOR_SCAN_NO 4526 CONFIDENCE standard compound; INTERNAL_ID 2776 CONFIDENCE standard compound; INTERNAL_ID 4104
methyl 2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoate
2-[(2-hydroxy-3-methylbutanoyl)amino]-4-methylpentanoic acid
2-[(2-hydroxy-3-methylbutanoyl)amino]-4-methylpentanoic acid
methyl 2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoate [IIN-based on: CCMSLIB00000845070]
methyl 2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoate [IIN-based: Match]
2-[(2-hydroxy-3-methylbutanoyl)amino]-4-methylpentanoic acid_major
(E)-2-(hex-3-en-5-yn-1-yl)-5-methyldecahydroquinoline
(5R,8R)-5-((E)-hept-4-en-6-yn-1-yl)-8-methyloctahydroindolizine
(5R,6R,8R)-5-((E)-hex-3-en-5-yn-1-yl)-6,8-dimethyloctahydroindolizine
(E)-8-ethyl-6-methyl-5-(pent-2-en-4-yn-1-yl)octahydroindolizine
(1R,4S)-1-ethyl-4-((E)-pent-2-en-4-yn-1-yl)octahydro-2H-quinolizine
6-(hex-5-yn-1-yl)-9-methyl-1,3,4,6,9,9a-hexahydro-2H-quinolizine
(2E,4E,6Z)-2,4,6-Decatrienoic acid dehydropiperidide
(R)-N-Boc-2,2-Dimethyl-4-hydroxymethyloxazolindine
(3S,4S)-TERT-BUTYL 3-HYDROXY-4-(HYDROXYMETHYL)PIPERIDINE-1-CARBOXYLATE
1H-Benzimidazole,5-methoxy-2-(4-piperidinyl)-(9CI)
3-(Piperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-one
2-Methyl-2-Propanyl 4-Hydroxy-4-(Hydroxymethyl)-1-Piperidinecarboxylate
4-METHYL-BETA-STYRYLBORONIC ACID DIETHANOLAMINE ESTER
4-[di(methyl)amino]-1,5-dimethyl-2-phenylpyrazol-3-one
2-Methyl-2-propanyl (3S,4S)-3,4-bis(hydroxymethyl)-1-pyrrolidinec arboxylate
7-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline
7,7-DIETHYL-5-METHOXY-1A,2,7,7A-TETRAHYDRO-1H-1-AZA-CYCLOPROPA[B]NAPHTHALENE
2-(1-piperidylmethyl)cyclohexan-1-one hydrochloride
tert-Butyl 2-(hydroxymethyl)-1,4-oxazepane-4-carboxylate
methyl 3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
tert-butyl 2,4-bis(hydroxymethyl)pyrrolidine-1-carboxylate
1-Hydroxy-3-amino-5,7-dimethyladamantane hydrochloride
(2S,4R)-tert-butyl 2,4-bis(hydroxyMethyl)pyrrolidine-1-carboxylate
1-[(3-amino-4-quinolinyl)amino]-2-methyl-2-propanol
3-[1-(4-Amino-butyl)-1H-[1,2,3]triazol-4-yl]-phenylamine
1-N-BOC-(2R,4S)-4-HYDROXY-2-(HYDROXYMETHYL) PIPERIDINE
2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
tert-butyl N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]carbamate
(S)-2-(((TERT-BUTOXYCARBONYL)AMINO)METHYL)-3-METHYLBUTANOIC ACID
(R)-2-(((TERT-BUTOXYCARBONYL)AMINO)METHYL)-3-METHYLBUTANOIC ACID
N-Cyano-N-(1,1-dimethylpropyl)-N-(3-pyridinyl)guanidine
D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
4-(5,5-Dimethylcyclohex-1-en-1-yl)cyclohexa-1,3-diene-1-carboxylic acid
3,12-Dihydroxylaurate
An omega-hydroxy fatty acid anion that is the conjugate base of 3,12-dihydroxylauric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
4,4-dimethyl-N2-(2-methylphenyl)-1H-1,3,5-triazine-2,6-diamine
Methyl 2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoate
3-[4-(3-Aminopropylamino)butylamino]-3-oxopropanoic acid
3-[3-(4-Aminobutylamino)propylamino]-3-oxopropanoic acid
(2S)-2-amino-5-(5-aminopentylamino)-5-oxopentanoic acid
Spiro[4.5]dec-1-ene, 6-isocyano-2,10-dimethyl-7-(1-methylethyl)-, [5R-(5alpha,6beta,7beta,10alpha)]-
(6R,9S,10R)-10-isocyano-9-isopropyl-3,6-dimethyl-spiro[4.5]dec-3-ene
[1alpha-Methyl-4beta-[(1E,3E)-1,5-dimethyl-1,3-hexadienyl]cyclohexyl] isocyanide
1-Cyclohexyl-2-methyl-1,4,5,6,7,8-hexahydro-1-azaazulene
N-1(S)-Phenylethyl-2(R),3(S)-dimethyl-4-pentenamide
O-Butanoylcarnitine
A C4-acylcarnitine that is the O-butanoyl derivative of carnitine.
(-)-Metazocine
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
Butyrylcarnitine
Butyrylcarnitine is a metabolite in plasma, acts as a biomarker to improve the diagnosis and prognosis of heart failure, and is indicative of anomalous lipid and energy metabolism.
O-butanoyl-L-carnitine
An optically active form of O-butanoylcarnitine having L-configuration.
O-Isobutyryl-L-carnitine
An optically active form of O-isobutyrylcarnitine having (R)-configuration.
α7 Nicotinic receptor agonist-1
α7 Nicotinic receptor agonist-1 (Preparation 5) is an α7 nAChR agonist. α7 Nicotinic receptor agonist-1 can be used in studies of psychiatric disorders (such as schizophrenia, manic or hypomanic depression and anxiety disorders) and intellectual disorders (such as alzheimer's disease, learning deficits, cognitive deficits, attention deficits, memory loss, lewy body dementia and attention deficit hyperactivity disorder)[1].
