Exact Mass: 146.0539072
Exact Mass Matches: 146.0539072
Found 312 metabolites which its exact mass value is equals to given mass value 146.0539072,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Adipic acid
Adipic acid is an important inudstrial dicarboxylic acid with about 2.5 billion kilograms produced per year. It is used mainly in the production of nylon. It occurs relatively rarely in nature. It has a tart taste and is also used as an additive and gelling agent in jello or gelatins. It is also used in some calcium carbonate antacids to make them tart. Adipic acid has also been incorporated into controlled-release formulation matrix tablets to obtain pH-independent release for both weakly basic and weakly acidic drugs. Adipic acid in the urine and in the blood is typically exogenous in origin and is a good biomarker of jello consumption. In fact, a condition known as adipic aciduria is actually an artifact of jello consumption (PMID: 1779643). However, certain disorders (such as diabetes and glutaric aciduria type I.) can lead to elevated levels of adipic acid snd other dicarboxcylic acids (such as suberic acid) in urine (PMID: 17520433; PMID: 6778884). Moreover, adipic acid is also found to be associated with 3-hydroxy-3-methylglutaryl-CoA lyase deficiency, carnitine-acylcarnitine translocase deficiency, malonyl-Coa decarboxylase deficiency, and medium Chain acyl-CoA dehydrogenase deficiency, which are inborn errors of metabolism. Adipic acid is also microbial metabolite found in Escherichia. Constituent of beet juice, pork fat, guava fruit (Psidium guajava), papaya (Carica papaya) and raspberry (Rubus idaeus). Food acidulant Adipic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=124-04-9 (retrieved 2024-07-16) (CAS RN: 124-04-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Adipic acid is found to be associated with HMG-CoA lyase deficiency, carnitine-acylcarnitine translocase deficiency, malonyl-Coa decarboxylase deficiency, and medium Chain acyl-CoA dehydrogenase deficiency, which are inborn errors of metabolism.
2-dehydropantoate
2-dehydropantoic acid, also known as ketopantoate, belongs to short-chain keto acids and derivatives class of compounds. Those are keto acids with an alkyl chain the contains less than 6 carbon atoms. 2-dehydropantoic acid is soluble (in water) and a weakly acidic compound (based on its pKa). 2-dehydropantoic acid can be found in a number of food items such as radish (variety), red algae, cherimoya, and avocado, which makes 2-dehydropantoic acid a potential biomarker for the consumption of these food products. 2-dehydropantoic acid exists in E.coli (prokaryote) and yeast (eukaryote).
3-Hydroxy-3-methyl-2-oxopentanoic acid
A 3-hydroxylated derivative of 3-methyl-2-oxovaleric acid.
4-Hydroxy-2-oxohexanoic acid
A hydroxy- and oxo- fatty acid comprising hexanoic acid substituted at C-2 and C-4 with oxo and hydroxy groups respectively.
(S)-2-Aceto-2-hydroxybutanoic acid
(S)-2-Aceto-2-hydroxybutanoic acid is an intermediate in branched chain amino acid metabolism. It is converted from 2-oxobutanoate or 2-hydoxyethyl ThPP via acetolactate synthase. [HMDB] (S)-2-Aceto-2-hydroxybutanoic acid is an intermediate in branched chain amino acid metabolism. It is converted from 2-oxobutanoate or 2-hydoxyethyl ThPP via acetolactate synthase.
FA 6:1;O2
The (R)-enantiomer of 3-hydroxy-3-methyl-2-oxopentanoic acid.
Isosorbide
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
4-quinazolinol
1H-quinazolin-4-one is a member of quinazolines. 4-Hydroxyquinazoline is a natural product found in Hydrangea febrifuga, Streptomyces, and other organisms with data available. COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 4(3H)-Quinazolinone is a building block in chemical synthesis. Biologically active nitrogen heterocyclic compounds. Possesses a wide spectrum of biological properties like antibacterial, antifungal, anticonvulsant, anti-inflammatory, anti-HIV, anticancerous and analgesic activities[1][2]. 4(3H)-Quinazolinone is a building block in chemical synthesis. Biologically active nitrogen heterocyclic compounds. Possesses a wide spectrum of biological properties like antibacterial, antifungal, anticonvulsant, anti-inflammatory, anti-HIV, anticancerous and analgesic activities[1][2].
2,2-Dimethylsuccinic acid
2,2-dimethylsuccinic acid is an alpha,omega-dicarboxylic acid that is succinic acid substituted by two methyl groups at positions 2 and 2 respectively. It derives from a succinic acid. 2,2-Dimethylsuccinic acid, also known as 2,2-dimethylbutanedioate, belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present. 2,2-Dimethylsuccinic acid is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. 2,2-Dimethylsuccinic acid has been identified in urine samples from children investigated for a possible inherited metabolic disease (PMID 2134344), and in children fed elemental or protein-hydrolysate formulas that use Octanylsuccinic acid-modified cornstarch as an emulsifying agent (PMID 1805153) [HMDB] 2,2-Dimethylsuccinic acid belongs to the class of organic compounds known as methyl-branched fatty acids.
2-Methylglutaric acid
2-Methylglutaric acid, also known as alpha-methylglutarate or 2-methylpentanedioate, belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present. 2-Methylglutaric acid is also classified as an alpha,omega-dicarboxylic acid. It is glutaric acid substituted at position 2 by a methyl group. 2-Methylglutaric acid arises from the microbial metabolism of the isoprenoid alkaloid pristane (PMID: 4327007; PMID: 20143352). 2-Methylglutaric acid is an organic acid normally found in human urine, in healthy adults and children. 2-Methylglutaric acid is a metabolite of succinic acid, a citric acid cycle intermediate. (PMID: 2925825, 8087979, 16379391, 1688138) [HMDB] 2-Methylpentanedioic acid is a metabolite of succinic acid, a citric acid cycle intermediate.
Methylglutaric acid
Methylglutaric acid is a leucine metabolite. A large amount of methylglutaric acid is identified in urine of patients with deficiency of 3-methylglutaconyl coenzyme A hydratase (PMID 6181239). Methylglutaric acid is also found to be associated with 3-hydroxy-3-methylglutaryl-CoA lyase deficiency, another inborn error of metabolism. Methylglutaric acid is a leucine metabolite. A large amount of methylglutaric acid is identified in urine of patients with deficiency of 3-methylglutaconyl coenzyme A hydratase (PMID 6181239). [HMDB] 3-Methylglutaric acid, a leucine metabolite, is a conspicuous C6 dicarboxylic organic acid classically associated with two distinct leucine pathway enzyme deficiencies, 3-hydroxy-3-methylglutaryl CoA lyase (HMGCL) and 3-methylglutaconyl CoA hydratase (AUH)[1][2].
Dimethyl succinate
Dimethyl succinate, also known as DBE-4 or fema 2396, belongs to the class of organic compounds known as fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR, where R=fatty aliphatic tail or organyl group and R=methyl group. Present in roasted filberts. Flavouring ingredient. Dimethyl succinate is found in nuts.
Monomethyl glutaric acid
Monomethyl glutaric acid, also known as 4-(methoxycarbonyl)butyrate or 2-methyleneglutarate, belongs to the class of organic compounds known as fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR, where R=fatty aliphatic tail or organyl group and R=methyl group. Metabolism of dibasic esters(DBEs) by nasal respiratory and olfactory mucosae in vitro demonstrated that hydrolysis of DBEs yields mainly the monomethyl esters (monomethyl adipate, monomethyl 5-Methoxy-5-oxopentanoic acid is an endogenous metabolite. 5-Methoxy-5-oxopentanoic acid is an endogenous metabolite.
4-Ethoxy-4-oxobutanoic acid
4-Ethoxy-4-oxobutanoic acid belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
Solerol
Solerol, also known as 4,5-dihydroxyhexanoic acid lactone, is a volatile component originally identified in extracts of grape wines and numerous fruits, with aroma being among the most important factors in determining wine character and quality (PMID: 11052736 ). Solerol (4,5-dihydroxyhexanoic acid lactone) also appears to be a marker for Succinic semialdehyde dehydrogenase (SSADH) deficiency and probably arises from the reaction of succinic semialdehyde with an intermediate in the pyruvate dehydrogenase pathway (PMID: 3126356 ). SSADH is a disorder that arises from a defect in gamma-aminobutyric acid catabolism, resulting in the accumulation of gamma-hydroxybutyric acid (GHB), 2,4-dihydroxybutyric acid, adipic acid as well as elevated levels of 4,5-dihydroxyhexanoic acid, and 4,5-dihydroxyhexanoic acid lactone and causing neurological and cognitive disorders of varying severity (PMID: 3126356 ). Children with SSADH deficiency usually manifest with developmental delay, behavioral symptoms, language dysfunction, seizures, hypotonia, extrapyramidal symptoms, and ataxia (PMID: 32055132). Solerol is a volatile component identified in extracts of grape wines and numerous fruits, with aroma being among the most important factors in determining wine character and quality. (PMID: 11052736). Solerol (4,5-dihydroxyhexanoic acid lactone) also appears to be a marker for Succinic semialdehyde dehydrogenase (SSADH) deficiency and probably arises from the reaction of succinic semialdehyde with an intermediate in the pyruvate dehydrogenase pathway (PMID: 3126356). SSADH is a defect in gamma-aminobutyric acid catabolism, resulting in the accumulation of gamma-hydroxybutyric acid (GHB) and causing neurological and cognitive disorders of varying severity. [HMDB]
2-methyl-1,3-thiazolidine-2-carboxamide
C5H10N2OS (146.05138100000002)
2-methyl-1,3-thiazolidine-2-carboxamide is classified as an alpha amino acid or an Alpha amino acid derivative. Alpha amino acids are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. 2-methyl-1,3-thiazolidine-2-carboxamide is considered to be soluble (in water) and relatively neutral
Ethylidene diacetate
D001697 - Biomedical and Dental Materials > D003764 - Dental Materials
Conduritol B
D007004 - Hypoglycemic Agents > D065089 - Glycoside Hydrolase Inhibitors D004791 - Enzyme Inhibitors
Conduritol B
D007004 - Hypoglycemic Agents > D065089 - Glycoside Hydrolase Inhibitors D004791 - Enzyme Inhibitors
Methyl beta,gamma-dihydroxy-alpha-methylene butylate
4-Hydroxyquinazoline
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 4(3H)-Quinazolinone is a building block in chemical synthesis. Biologically active nitrogen heterocyclic compounds. Possesses a wide spectrum of biological properties like antibacterial, antifungal, anticonvulsant, anti-inflammatory, anti-HIV, anticancerous and analgesic activities[1][2]. 4(3H)-Quinazolinone is a building block in chemical synthesis. Biologically active nitrogen heterocyclic compounds. Possesses a wide spectrum of biological properties like antibacterial, antifungal, anticonvulsant, anti-inflammatory, anti-HIV, anticancerous and analgesic activities[1][2].
5-Phenyl-1H-tetrazole
CONFIDENCE standard compound; INTERNAL_ID 772; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3191; ORIGINAL_PRECURSOR_SCAN_NO 3190 CONFIDENCE standard compound; INTERNAL_ID 772; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3200; ORIGINAL_PRECURSOR_SCAN_NO 3199 CONFIDENCE standard compound; INTERNAL_ID 772; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3211; ORIGINAL_PRECURSOR_SCAN_NO 3210 CONFIDENCE standard compound; INTERNAL_ID 772; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3190; ORIGINAL_PRECURSOR_SCAN_NO 3189 CONFIDENCE standard compound; INTERNAL_ID 772; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3213; ORIGINAL_PRECURSOR_SCAN_NO 3212 CONFIDENCE standard compound; INTERNAL_ID 772; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3230; ORIGINAL_PRECURSOR_SCAN_NO 3229
3,4-Dihydroxy-2-methylenebutanoic acid methyl ester
(3aR,6R,6aR)-hexahydrofuro[3,2-b]furan-2,6-diol|3,6-anhydro-2-deoxy-D-arabino-hexofuranose|3,6-anhydro-2-deoxy-D-arabinohexofuranose|3,6-anhydro-2-deoxy-D-glucose
2-Methylglutaric acid
An alpha,omega-dicarboxylic acid that is glutaric acid substituted at position 2 by a methyl group. Acquisition and generation of the data is financially supported in part by CREST/JST. 2-Methylpentanedioic acid is a metabolite of succinic acid, a citric acid cycle intermediate.
Methylglutaric acid
An alpha,omega-dicarboxylic acid that is glutaric acid substituted at position 3 by a methyl group. 3-Methylglutaric acid, a leucine metabolite, is a conspicuous C6 dicarboxylic organic acid classically associated with two distinct leucine pathway enzyme deficiencies, 3-hydroxy-3-methylglutaryl CoA lyase (HMGCL) and 3-methylglutaconyl CoA hydratase (AUH)[1][2].
Methyl Hydrogen Glutarate
5-Methoxy-5-oxopentanoic acid is an endogenous metabolite. 5-Methoxy-5-oxopentanoic acid is an endogenous metabolite.
adipic acid
An alpha,omega-dicarboxylic acid that is the 1,4-dicarboxy derivative of butane. CONFIDENCE standard compound; INTERNAL_ID 664; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2444; ORIGINAL_PRECURSOR_SCAN_NO 2443 CONFIDENCE standard compound; INTERNAL_ID 664; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2464; ORIGINAL_PRECURSOR_SCAN_NO 2463 CONFIDENCE standard compound; INTERNAL_ID 664; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2427; ORIGINAL_PRECURSOR_SCAN_NO 2425 CONFIDENCE standard compound; INTERNAL_ID 664; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2445; ORIGINAL_PRECURSOR_SCAN_NO 2444 CONFIDENCE standard compound; INTERNAL_ID 664; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2437; ORIGINAL_PRECURSOR_SCAN_NO 2436 Adipic acid is found to be associated with HMG-CoA lyase deficiency, carnitine-acylcarnitine translocase deficiency, malonyl-Coa decarboxylase deficiency, and medium Chain acyl-CoA dehydrogenase deficiency, which are inborn errors of metabolism.
Monomethyl glutaric acid
A dicarboxylic acid monoester that the monomethyl ester of glutaric acid. 5-Methoxy-5-oxopentanoic acid is an endogenous metabolite. 5-Methoxy-5-oxopentanoic acid is an endogenous metabolite.
2,2-Dimethylsuccinic acid
2,2-Dimethylsuccinic acid belongs to the class of organic compounds known as methyl-branched fatty acids.
3-Methylglutaric acid
3-Methylglutaric acid, a leucine metabolite, is a conspicuous C6 dicarboxylic organic acid classically associated with two distinct leucine pathway enzyme deficiencies, 3-hydroxy-3-methylglutaryl CoA lyase (HMGCL) and 3-methylglutaconyl CoA hydratase (AUH)[1][2]. 3-Methylglutaric acid, a leucine metabolite, is a conspicuous C6 dicarboxylic organic acid classically associated with two distinct leucine pathway enzyme deficiencies, 3-hydroxy-3-methylglutaryl CoA lyase (HMGCL) and 3-methylglutaconyl CoA hydratase (AUH)[1][2].
Methylglutarate
3-Methylglutaric acid, a leucine metabolite, is a conspicuous C6 dicarboxylic organic acid classically associated with two distinct leucine pathway enzyme deficiencies, 3-hydroxy-3-methylglutaryl CoA lyase (HMGCL) and 3-methylglutaconyl CoA hydratase (AUH)[1][2].
Pentanedioate
5-Methoxy-5-oxopentanoic acid is an endogenous metabolite. 5-Methoxy-5-oxopentanoic acid is an endogenous metabolite.
2,2-Dimethylsuccinate
2,2-Dimethylsuccinic acid belongs to the class of organic compounds known as methyl-branched fatty acids.
3-amino-1H-1,2,4-triazole-5-carboxylic acid,hydrate
1-(2-Hydroxyethyl)imidazolidine-2-thione
C5H10N2OS (146.05138100000002)
VAL-083
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
3,5-dimethyl-1,3,5-oxadiazinane-4-thione
C5H10N2OS (146.05138100000002)
Thiourea, N-[imino(methylamino)methyl]-N-methyl- (9CI)
Cyclopentanecarbonyl chloride, 1-methyl- (8CI,9CI)
6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile
VINYLMETHYLSILOXANE - DIMETHYLSILOXANE COPOLYMERS, TRIMETHYLSILOXY TERMINATED
C5H14OSi2 (146.05831540000003)
Conduritol a
A conduritol in which the hydroxy groups at positions 2, 3, and 4 are in a trans,trans,cis- relationship to that at position 1. D007004 - Hypoglycemic Agents > D065089 - Glycoside Hydrolase Inhibitors D004791 - Enzyme Inhibitors
Dianhydrodulcitol
D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
(+)-Conduritol B
D007004 - Hypoglycemic Agents > D065089 - Glycoside Hydrolase Inhibitors D004791 - Enzyme Inhibitors
(-)-Conduritol B
D007004 - Hypoglycemic Agents > D065089 - Glycoside Hydrolase Inhibitors D004791 - Enzyme Inhibitors
FR-0632
5-Methoxy-5-oxopentanoic acid is an endogenous metabolite. 5-Methoxy-5-oxopentanoic acid is an endogenous metabolite.
L-glutamate(1-)
An alpha-amino-acid anion that is the conjugate base of L-glutamic acid, having anionic carboxy groups and a cationic amino group
threo-3-methyl-L-aspartate(1-)
Conjugate base of threo-3-methyl-L-aspartic acid.
2-(Carboxyethoxy)propanal
An oxo carboxylic acid that is propanal substituted by a carboxyethoxy group at position 2.
D-glutamate(1-)
An alpha-amino-acid anion that is the conjugate base of D-glutamic acid, having anionic carboxy groups and a cationic amino group
(S)-4-hydroxy-2-oxohexanoic acid
An optically active form of 4-hydroxy-2-oxohexanoic acid having 4S-configuration.
quinoxalin-2-ol
A hydroxyquinoxaline that consists of quinoxaline having a single hydroxy substituent located at position 2.
2-methyl-1,3-thiazolidine-2-carboxamide
C5H10N2OS (146.05138100000002)
A thiazolidinecarboxamide that is 1,3-thiazolidine-2-carboxamide substituted by a methyl group at position 2.
(S)-3-hydroxy-3-methyl-2-oxopentanoic acid
The S enantiomer of 3-hydroxy-3-methyl-2-oxopentanoic acid.
2-Dehydropantoic acid
An oxo monocarboxylic acid that is 2-oxobutanoic acid in which both of the hydrogens at position 3 are substituted by methyl groups and one of the hydrogens at position 4 is substituted by a hydroxy group.
(S)-2-acetyl-2-hydroxybutanoic acid
A 3-oxo monocarboxylic acid that is butanoic acid in which the hydrogens at position 2 are replaced by an acetyl and a hydroxy group (the S enantiomer).
isoglutamate(1-)
A beta-amino-acid anion that is the conjugate base of isoglutamic acid, obtained by deprotonation of the carboxy groups and protonation of the amino group; major species at pH 7.3.
glutamate(1-)
An alpha-amino-acid anion that is the conjugate base of glutamic acid, having anionic carboxy groups and a cationic amino group
3-TYP
3-TYP is an inhibitor of SIRT3 (IC50: ~377 μM) and an inhibitor of Methionine Adenosyltransferase (MAT) 2 and Indoleamine 2,3-Dioxygenase (IDO). There may be many off-target sites for 3-TYP that need to be examined, such as NAD-dependent enzymes, including dehydrogenases[1][2][3].