Exact Mass: 113.0408
Exact Mass Matches: 113.0408
Found 344 metabolites which its exact mass value is equals to given mass value 113.0408,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Creatinine
Creatinine or creatine anhydride, is a breakdown product of creatine phosphate in muscle. The loss of water molecule from creatine results in the formation of creatinine. Creatinine is transferred to the kidneys by blood plasma, whereupon it is eliminated from the body by glomerular filtration and partial tubular excretion. Creatinine is usually produced at a fairly constant rate by the body. Measuring serum creatinine is a simple test and it is the most commonly used indicator of renal function. A rise in blood creatinine levels is observed only with marked damage to functioning nephrons; therefore this test is not suitable for detecting early kidney disease. The typical reference range for women is considered about 45-90 umol/l, for men 60-110 umol/l. Creatine and creatinine are metabolized in the kidneys, muscle, liver and pancreas. [HMDB]. Creatinine is a biomarker for the consumption of meat. Creatinine is found in many foods, some of which are canada blueberry, other bread, french plantain, and grape. Creatinine, or creatine anhydride, is a breakdown product of creatine phosphate in muscle. The loss of a water molecule from creatine results in the formation of creatinine. Creatinine is transferred to the kidneys by blood plasma, whereupon it is eliminated from the body by glomerular filtration and partial tubular excretion. Creatinine is usually produced at a fairly constant rate by the body. Measuring serum creatinine is a simple test and it is the most commonly used indicator of renal function. A rise in blood creatinine levels is observed only with marked damage to functioning nephrons. Therefore, this test is not suitable for detecting early kidney disease. The typical reference range for women is considered about 45-90 µmol/L; for men 60-110 µmol/L. Creatine and creatinine are metabolized in the kidneys, muscle, liver, and pancreas. Creatinine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=60-27-5 (retrieved 2024-07-01) (CAS RN: 60-27-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Creatinine (NSC13123) is a breakdown product of creatine phosphate in muscles. Creatinine (NSC13123) is a breakdown product of creatine phosphate in muscles.
Epsilon-caprolactam
Caprolactam, also known as aminocaproic lactam or hexahydro-2h-azepin-2-one, is a member of the class of compounds known as caprolactams. Caprolactams are cyclic amides of caproic acid. Caproic acid is the carboxylic acid derived from hexane with the general formula C5H11COOH. Caprolactam is soluble (in water) and a very weakly acidic compound (based on its pKa). Caprolactam is an amine, bitter, and spicy tasting compound found in sunflower, which makes caprolactam a potential biomarker for the consumption of this food product. Caprolactam (CPL) is an organic compound with the formula (CH2)5C(O)NH. This colourless solid is a lactam (a cyclic amide) of caproic acid. Global demand for this compound is approximately 5 million tons per year, and the vast majority is used to make Nylon 6 filament, fiber, and plastics . Epsilon-caprolactam, also known as Caprolactam or Aminocaproic lactam, is classified as a member of the Caprolactams. Caprolactams are cyclic amides of caproic acid. Caproic acid is the carboxylic acid derived from hexane with the general formula C5H11COOH. Epsilon-caprolactam is considered to be soluble (in water) and relatively neutral. Epsilon-caprolactam is an amine, bitter, and spicy tasting compound found in Sunflowers D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
1-Pyrroline-5-carboxylic acid
1-Pyrroline-5-carboxylic acid (CAS: 2906-39-0) is an enamine or an imino acid that forms upon the spontaneous dehydration of L-glutamate gamma-semialdehyde in aqueous solutions. The stereoisomer (S)-1-pyrroline-5-carboxylate is an intermediate in glutamate metabolism, arginine degradation, and proline biosynthesis and degradation. It can also be converted into or be formed from three amino acids: L-glutamate, L-ornithine, and L-proline. In particular, it is synthesized via the oxidation of proline by pyrroline-5-carboxylate reductase 1 (PYCR1) (EC 1.5.1.2) or by proline dehydrogenase (PRODH) (EC 1.5.99.8). It is hydrolyzed into L-glutamate by delta-1-pyrroline-5-carboxylate dehydrogenase (ALDH4A1) (EC 1.5.1.12). It is also one of the few metabolites that can act as a precursor to other metabolites of both the urea cycle and the tricarboxylic acid (TCA) cycle. Under certain conditions, pyrroline-5-carboxylate can act as a neurotoxin and a metabotoxin. A neurotoxin causes damage to nerve cells and nerve tissues. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Chronically high levels of pyrroline-5-carboxylate are associated with at least five inborn errors of metabolism, including hyperprolinemia type I, hyperprolinemia type II, iminoglycinuria, prolinemia type II, and pyruvate carboxylase deficiency. Hyperprolinemia type II results in high levels of pyrroline-5-carboxylate. People with hyperprolinemia type II have signs and symptoms that vary in severity, but they are more likely than type I to have seizures or intellectual disability. Pyrroline-5-carboxylate is highly reactive and excess quantities have been shown to cause cell death and apoptosis (PMID: 15548746). (s)-1-pyrroline-5-carboxylate, also known as delta-1-pyrroline-5-carboxylate, (+-)-isomer, belongs to alpha amino acids and derivatives class of compounds. Those 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 (s)-1-pyrroline-5-carboxylate is soluble (in water) and a moderately acidic compound (based on its pKa). (s)-1-pyrroline-5-carboxylate can be found in a number of food items such as beech nut, mango, oyster mushroom, and other bread, which makes (s)-1-pyrroline-5-carboxylate a potential biomarker for the consumption of these food products (s)-1-pyrroline-5-carboxylate may be a unique E.coli metabolite.
1-Pyrroline-2-carboxylic acid
1-Pyrroline-2-carboxylic acid is a terminal product of D-proline metabolism. Specifically D-proline is converted to 1-Pyrroline-2-carboxylic acid via D-amino acid oxidase. This spontaneously breaks down to 2-oxo-5-amino-valerate. [HMDB] 1-Pyrroline-2-carboxylic acid is a terminal product of D-proline metabolism. Specifically D-proline is converted to 1-Pyrroline-2-carboxylic acid via D-amino acid oxidase. This spontaneously breaks down to 2-oxo-5-amino-valerate.
Glutarimide
D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors
2-Nitroimidazole
Azomycin (2-Nitroimidazole) is an antibiotic which can be active against aerobic Gram-positive and Gram-negative bacteria.
3-(Methylnitrosamino)propionitrile
1-Pyrroline-5-carboxylic acid
A 1-pyrrolinecarboxylic acid that is 1-pyrroline in which one of the hydrogens at position 5 is replaced by a carboxy group. The stereoisomer (S)-1-pyrroline-5-carboxylate (also referred to as L-P5C) is an intermediate metabolite in the biosynthesis and degradation of proline and arginine.[4][5][6] In prokaryotic proline biosynthesis, GSA is synthesized from γ-glutamyl phosphate by the enzyme γ-glutamyl phosphate reductase. In most eukaryotes, GSA is synthesised from the amino acid glutamate by the bifunctional enzyme 1-pyrroline-5-carboxylate synthase (P5CS). The human P5CS is encoded by the ALDH18A1 gene.[7][8] The enzyme pyrroline-5-carboxylate reductase converts P5C into proline. In proline degradation, the enzyme proline dehydrogenase produces P5C from proline, and the enzyme 1-pyrroline-5-carboxylate dehydrogenase converts GSA to glutamate. In many prokaryotes, proline dehydrogenase and P5C dehydrogenase form a bifunctional enzyme that prevents the release of P5C during proline degradation. 1-Pyrroline-5-carboxylic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=2906-39-0 (retrieved 2024-07-09) (CAS RN: 2906-39-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
N-propargylglycine
A non-proteinogenic L-alpha-amino acid that is L-alanine in which one of the methyl hydrogens has been replaced by an ethynyl group. It causes the irreversible inactivation of gamma-cystathionase (also known as cystathionine gamma-lyase) and is used as an affinity labeling reagent for gamma-cystathionase and other enzymes. D004791 - Enzyme Inhibitors (S)-2-Aminopent-4-ynoic acid is a synthetic amino acid. (S)-2-Aminopent-4-ynoic acid can be used in synthesis of folate-conjugates and corresponding metal-chelate complexes[1]. (S)-2-Aminopent-4-ynoic acid is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
1-Piperidinecarboxaldehyde
1-Piperidinecarboxaldehyde is found in herbs and spices. 1-Piperidinecarboxaldehyde is present in peppe Present in pepper. 1-Piperidinecarboxaldehyde is found in herbs and spices and pepper (spice).
Thiiranepropanenitrile
Thiiranepropanenitrile is found in brassicas. Thiiranepropanenitrile is a hydrolysis produced from seeds of Brassica campestris. Hydrolysis production from seeds of Brassica campestris. Thiiranepropanenitrile is found in brassicas.
2,5-Dihydro-2,4,5-trimethyloxazole
2,5-Dihydro-2,4,5-trimethyloxazole is found in animal foods. 2,5-Dihydro-2,4,5-trimethyloxazole is a volatile flavour constituent of boiled beef and roasted peanuts. 2,5-Dihydro-2,4,5-trimethyloxazole is used as flavour enhancer in fish product Volatile flavour constituent of boiled beef and roasted peanuts. It is used as flavour enhancer in fish products. 2,5-Dihydro-2,4,5-trimethyloxazole is found in animal foods and nuts.
4-Isothiocyanato-1-butene
Chief volatile isothiocyanate of enzymically treated seeds of Brassica napus (rape) and other crucifers. Formed from 3-Butenyl glycosinolate
2,4-Dimethylthiazole
2,4-Dimethylthiazole is found in animal foods. 2,4-Dimethylthiazole is a constituent of beef aroma. Constituent of beef aroma. 2,4-Dimethylthiazole is found in tea and animal foods.
2,5-Dimethylthiazole
2,5-Dimethylthiazole is found in cereals and cereal products. 2,5-Dimethylthiazole is organoleptic agent. 2,5-Dimethylthiazole is a food flavour/aroma component. 2,5-Dimethylthiazole is reported in roasted peanuts and roasted sesame seeds together with isomers. Organoleptic agent. Food flavour/aroma component. Reported in roasted peanuts and roasted sesame seeds together with isomers. 2,5-Dimethylthiazole is found in tea, cereals and cereal products, and nuts.
4,5-Dimethylthiazole
4,5-Dimethylthiazole is a flavouring agent. Flavouring agent
2-Acetylpyrrolidine
Aroma constituent of wheat bread crust. Proposed precursor of the roasty-popcorn flavour material 5-Acetyl-3,4-dihydro-2H-pyrrole
2-Ethylthiazole
2-Ethylthiazole is found in mushrooms. 2-Ethylthiazole is a flavouring ingredient for coffee. It is a Maillard product, a volatile component of yeast extract, and a product of thermal decomposition of Alliin
Butenyl isothiocyanate
Butenyl isothiocyanate, also known as bylitc, is a member of the class of compounds known as isothiocyanates. Isothiocyanates are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S. Butenyl isothiocyanate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Butenyl isothiocyanate can be found in corn and oat, which makes butenyl isothiocyanate a potential biomarker for the consumption of these food products.
Creatinine
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Creatinine (NSC13123) is a breakdown product of creatine phosphate in muscles. Creatinine (NSC13123) is a breakdown product of creatine phosphate in muscles.
(S)-2-Amino-4-pentynoic acid|(S)-alpha-propargylglycine|(??)-2-Amino-4-pentynoic acid|B,HCl-(??)-2-Amino-4-pentynoic acid|H-Pra-OH|L-PAG|L-propargyl glycine|L-propargylglycine|Propargylglycine
Creatinine
A lactam obtained by formal cyclocondensation of creatine. It is a metabolite of creatine. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; DDRJAANPRJIHGJ-UHFFFAOYSA-N_STSL_0026_Creatinine_2000fmol_180410_S2_LC02_MS02_34; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. Creatinine (NSC13123) is a breakdown product of creatine phosphate in muscles. Creatinine (NSC13123) is a breakdown product of creatine phosphate in muscles.
[1S-, 2R-, 5R-](3-Aza-bicyclo[3.1.0]hex-2-yl)-methanol
Cysteamine Hydrochloride
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent D065104 - Cystine Depleting Agents Cysteamine hydrochloride (2-Aminoethanethiol hydrochloride) is an orally active agent for the treatment of nephropathic cystinosis and an antioxidant. Cysteamine hydrochloride (2-Aminoethanethiol hydrochloride) is an orally active agent for the treatment of nephropathic cystinosis and an antioxidant.
1-methyl-1H-1,2,4-triazole-3,5-diamine(SALTDATA: HCl 0.5H2O)
(1R,2S,5S)-rel-3-Azabicyclo[3.1.0]hexane-2-Methanol
Krebiozen
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Creatinine (NSC13123) is a breakdown product of creatine phosphate in muscles. Creatinine (NSC13123) is a breakdown product of creatine phosphate in muscles.
3-cyano-L-alaninate
The conjugate base of 3-cyano-L-alanine; major species at pH 7.3.
(2Z)-2-hydroxypenta-2,4-dienoate
A 2-hydroxypenta-2,4-dienoate in which the double bond between positions 2 and 3 has Z- (trans-) geometry.
L-propargylglycine zwitterion
An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy group to the amino group of L-propargylglycine. The major species at pH 7.3.
(2E)-hexenoate
A monounsaturated fatty acid anion that is the conjugate base of (2E)-hexenoic acid.
Caprolactam
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
1-Pyrroline-2-carboxylic acid
The product resulting from formal oxidation of DL-proline by loss of hydrogen from the nitrogen and from the carbon alpha to the carboxylic acid, with the formation of a C=N bond.
(2E)-2-hydroxypenta-2,4-dienoate
A 2-hydroxypenta-2,4-dienoate in which the double bond between positions 2 and 3 has E- (cis-) geometry.
2-Hydroxypenta-2,4-dienoate
The conjugate base of 2-hydroxypenta-2,4-dienoic acid.
1-pyrroline-2-carboxylic acid zwitterion
A zwitterion resulting from the transfer of a proton from the carboxy group to the nitrogen of 1-pyrroline-2-carboxylic acid; major species at pH 7.3.
Epsilon-caprolactam
A member of the class of caprolactams that is azepane substituted by an oxo group at position 2.
(R)-1-pyrroline-5-carboxylic acid
A 1-pyrroline-5-carboxylic acid in which the chiral centre has R configuration.
(S)-1-Pyrroline-5-carboxylic acid
A 1-pyrroline-5-carboxylic acid in which the chiral centre has S configuration.
1-cyano-2-hydroxymethylprop-2-ene-1-ol
{"Ingredient_id": "HBIN002459","Ingredient_name": "1-cyano-2-hydroxymethylprop-2-ene-1-ol","Alias": "NA","Ingredient_formula": "C5H7NO2","Ingredient_Smile": "C=C(CO)C(C#N)O","Ingredient_weight": "113.11 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4453","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5316228","DrugBank_id": "NA"}
