Exact Mass: 226.1012
Exact Mass Matches: 226.1012
Found 368 metabolites which its exact mass value is equals to given mass value 226.1012,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Carnosine
Carnosine, which is also known as beta-alanyl-L-histidine) is a dipeptide consisting of the amino acids beta-alanine and histidine. It is found exclusively in animal tissues and is naturally produced in the body by the liver. Carnosine has a pKa value of 6.83, making it a good buffer for the pH range of animal muscles. Since beta-alanine is a non-proteogenic amino acid and is not incorporated into proteins, carnosine can be stored at relatively high concentrations (millimolar) in muscles, with concentrations as high as 17–25 mmol/kg (dry muscle). Carnosine is also highly concentrated in brain tissues. Carnosine has been shown to scavenge reactive oxygen species (ROS) as well as alpha-beta unsaturated aldehydes formed from peroxidation of fatty acids during oxidative stress. The antioxidant mechanism of carnosine is attributed to its chelating effect against divalent metal ions, superoxide dismutase (SOD)-like activity, as well as its ROS and free radicals scavenging ability (PMID: 16406688). Carnosine also buffers muscle cells, and acts as a neurotransmitter in the brain. Carnosine has the potential to suppress many of the biochemical changes that accompany ageing (e.g. protein oxidation, glycation, AGE formation, and cross-linking) and associated pathologies (PMID: 16804013). Some autistic patients take carnosine as a dietary supplement and attribute an improvement in their condition to it. Supplemental carnosine may increase corticosterone levels. This may explain the "hyperactivity" seen in autistic subjects at higher doses. A positive association between muscle tissue carnosine concentration and exercise performance has been found. β-Alanine supplementation is thought increase exercise performance by promoting carnosine production in muscle. Exercise has conversely been found to increase muscle carnosine concentrations, and muscle carnosine content is higher in athletes engaging in anaerobic exercise. Carnosine is also a biomarker for the consumption of meat. Elevated levels of urinary and plasma carnosine are associated with carnosinuria (also known as carnosinemia), which is an inborn error of metabolism. caused by a deficiency of the enzyme carnosinase. Carnosinas cleaves carnosine into its constituent amino acids: β-Alanine and histidine. Carnonsinemia results in an excess of carnosine in the urine, cerebrospinal fluid, blood, and nervous tissue. A variety of neurological symptoms have been associated with carnosinemia. They include: hypotonia, developmental delay, mental retardation, degeneration of axons, sensory neuropathy, tremors, demyelinization, gray matter anomalies, myoclonic seizures, and loss of purkinje fibers. [Spectral] Carnosine (exact mass = 226.10659) and L-Lysine (exact mass = 146.10553) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. L-Carnosine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=305-84-0 (retrieved 2024-07-02) (CAS RN: 305-84-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). L-Carnosine is a dipeptide of the amino acids beta-alanine and histidine and has the potential to suppress many of the biochemical changes that accompany aging. L-Carnosine is a dipeptide of the amino acids beta-alanine and histidine and has the potential to suppress many of the biochemical changes that accompany aging. L-Carnosine is a dipeptide of the amino acids beta-alanine and histidine and has the potential to suppress many of the biochemical changes that accompany aging.
Porphobilinogen
Porphobilinogen (PBG) is a pyrrole-containing intermediate in the biosynthesis of porphyrins. It is generated from aminolevulinate (ALA) by the enzyme ALA dehydratase. Porphobilinogen is then converted into hydroxymethylbilane by the enzyme porphobilinogen deaminase (also known as hydroxymethylbilane synthase). Under certain conditions, porphobilinogen can act as a phototoxin, a neurotoxin, and a metabotoxin. A phototoxin leads to cell damage upon exposure to light. 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 porphyrins are associated with porphyrias such as porphyria variegate, acute intermittent porphyria, and hereditary coproporphyria (HCP). There are several types of porphyrias (most are inherited). Hepatic porphyrias are characterized by acute neurological attacks (seizures, psychosis, extreme back and abdominal pain, and an acute polyneuropathy), while the erythropoietic forms present with skin problems (usually a light-sensitive blistering rash and increased hair growth). The neurotoxicity of porphyrins may be due to their selective interactions with tubulin, which disrupt microtubule formation and cause neural malformations (PMID: 3441503). Porphobilinogen is a pyrrole involved in porphyrin metabolism. -- Wikipedia; It consists of a pyrrole ring with acetyl, propionyl, and aminomethyl side chains; It is a key monopyrrolic intermediate in porphyrin, chlorophyll and vitamin B12 biosynthesis. Porphobilinogen is generated by the enzyme ALA dehydratase by combining two molecules of dALA together, and converted into hydroxymethyl bilane by the enzyme porphobilinogen deaminase. 4 molecules of porphobilinogen are condensed to form one molecule of uroporphyrinogen III, which is then converted successively to coproporphyrinogen III, protoporphyrin IX, and heme. Porphobilinogen is produced in excess and excreted in the urine in acute intermittent porphyria and several other porphyrias. [HMDB]. Porphobilinogen is found in many foods, some of which are strawberry guava, amaranth, parsnip, and ostrich fern.
Metyrapone
Metyrapone is only found in individuals that have used or taken this drug. It is an inhibitor of the enzyme steroid 11-beta-monooxygenase. It is used as a test of the feedback hypothalamic-pituitary mechanism in the diagnosis of cushing syndrome. [PubChem]The pharmacological effect of Metopirone is to reduce cortisol and corticosterone production by inhibiting the 11-ß-hydroxylation reaction in the adrenal cortex. Removal of the strong inhibitory feedback mechanism exerted by cortisol results in an increase in adrenocorticotropic hormone (ACTH) production by the pituitary. With continued blockade of the enzymatic steps leading to production of cortisol and corticosterone, there is a marked increase in adrenocortical secretion of their immediate precursors, 11-desoxycortisol and desoxycorticosterone, which are weak suppressors of ACTH release, and a corresponding elevation of these steroids in the plasma and of their metabolites in the urine. These metabolites are readily determined by measuring urinary 17-hydroxycorticosteroids (17-OHCS) or 17-ketogenic steroids (17-KGS). Because of these actions, metopirone is used as a diagnostic test, with urinary 17-OHCS measured as an index of pituitary ACTH responsiveness. Metopirone may also suppress biosynthesis of aldosterone, resulting in a mild natriuresis. V - Various > V04 - Diagnostic agents > V04C - Other diagnostic agents > V04CD - Tests for pituitary function D009676 - Noxae > D000963 - Antimetabolites KEIO_ID M111; [MS2] KO009044 D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor KEIO_ID M111
Deoxylapachol
2-demethylmenaquinone is a naphthoquinone and a member of p-quinones. It has a role as an Escherichia coli metabolite. Deoxylapachol is a natural product found in Tectona grandis, Handroanthus impetiginosus, and other organisms with data available. Deoxylapachol is a major cytotoxic component of New Zealand brown alga, Landsburgia quercifolia. Deoxylapachol has antifungal and anti-cancer activity[1]. Deoxylapachol is a major cytotoxic component of New Zealand brown alga, Landsburgia quercifolia. Deoxylapachol has antifungal and anti-cancer activity[1].
Carbidopa
Carbidopa (anhydrous) is 3-(3,4-Dihydroxyphenyl)propanoic acid in which the hydrogens alpha- to the carboxyl group are substituted by hydrazinyl and methyl groups (S-configuration). Carbidopa is a dopa decarboxylase inhibitor, so prevents conversion of levodopa to dopamine. It has no antiparkinson activity by itself, but is used (commonly as its hydrate) in the management of Parkinsons disease to reduce peripheral adverse effects of levodopa. It has a role as an EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor, an antiparkinson drug and a dopaminergic agent. It is a member of hydrazines, a monocarboxylic acid and a member of catechols. Carbidopa presents a chemical denomination of N-amino-alpha-methyl-3-hydroxy-L-tyrosine monohydrate. It potently inhibits aromatic amino acid decarboxylase (DDC) and due to its chemical properties, it does not cross the blood-brain barrier. Due to its activity, carbidopa is always administered concomitantly with [levodopa]. An individual formulation containing solely carbidopa was generated to treat nausea in patients where the combination therapy [levodopa]/carbidopa is not efficient reducing nausea. The first approved product by the FDA containing only carbidopa was developed by Amerigens Pharmaceuticals Ltd and approved on 2014. On the other hand, the combination treatment of carbidopa/levodopa was originally developed by Watson Labs but the historical information by the FDA brings back to the approval of this combination therapy developed by Mayne Pharma in 1992. Carbidopa Anhydrous is the anhydrous, levorotatory isomer of a synthetic hydrazine derivative of the neurotransmitter dopamine. Carbidopa, a peripheral dopa decarboxylase inhibitor, is used as an adjunct with levodopa to prevent levodopa degradation to dopamine in extracerebral tissue, thereby decreasing the peripheral side effects of levodopa. Carbidopa does not penetrate the blood brain barrier; therefore, it does not interfere with the central nervous system (CNS) metabolism of levodopa to the active neurotransmitter dopamine which, in high concentrations in the brain, has anti-parkinsonian effects. An inhibitor of DOPA DECARBOXYLASE that prevents conversion of LEVODOPA to dopamine. It is used in PARKINSON DISEASE to reduce peripheral adverse effects of LEVODOPA. It has no anti-parkinson activity by itself. Carbidopa is only found in individuals that have used or taken this drug. It is an inhibitor of DOPA decarboxylase, preventing conversion of levodopa to dopamine. It is used in parkinson disease to reduce peripheral adverse effects of levodopa. It has no antiparkinson actions by itself. [PubChem]When mixed with levodopa, carbidopa inhibits the peripheral conversion of levodopa to dopamine and the decarboxylation of oxitriptan to serotonin by aromatic L-amino acid decarboxylase. This results in increased amount of levodopa and oxitriptan available for transport to the CNS. Carbidopa also inhibits the metabolism of levodopa in the GI tract, thus, increasing the bioavailability of levodopa. D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D004791 - Enzyme Inhibitors > D065105 - Aromatic Amino Acid Decarboxylase Inhibitors C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents
2-Phenylethyl benzoate
2-phenylethyl benzoate, also known as benzylcarbinyl benzoate, is a member of the class of compounds known as benzoic acid esters. Benzoic acid esters are ester derivatives of benzoic acid. 2-phenylethyl benzoate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-phenylethyl benzoate is a balsam, floral, and honey tasting compound found in ceylon cinnamon and linden, which makes 2-phenylethyl benzoate a potential biomarker for the consumption of these food products. 2-Phenylethyl benzoate is found in ceylan cinnamon. 2-Phenylethyl benzoate is a flavouring ingredient.
Histidylalanine
Histidylalanine is a dipeptide composed of histidine and alanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Alanylhistidine
Alanylhistidine is a dipeptide composed of alanine and histidine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Phenylmethyl benzeneacetate
Phenylmethyl benzeneacetate is used in food flavouring. It is used in food flavouring.
3-[(2-Methyl-3-furanyl)thio]-4-heptanone
Meat flavouring ingredient. Meat flavouring ingredient
p-Tolyl phenylacetate
p-Tolyl phenylacetate is a flavouring ingredient. Flavouring ingredient
DL-Carbidopa
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D004791 - Enzyme Inhibitors > D065105 - Aromatic Amino Acid Decarboxylase Inhibitors D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents
5-[[Methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol
Nimorazole
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases > P01AB - Nitroimidazole derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
beta-Alanyl-L-histidine
Phosphoglucomutase, also known as rnase, pancreatic or pancreatic rnase, is a member of the class of 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. Phosphoglucomutase is soluble (in water) and a weakly acidic compound (based on its pKa). Phosphoglucomutase can be found in soy bean, which makes phosphoglucomutase a potential biomarker for the consumption of this food product. Phosphoglucomutase (EC 5.4.2.2) is an enzyme that transfers a phosphate group on an α-D-glucose monomer from the 1 to the 6 position in the forward direction or the 6 to the 1 position in the reverse direction .
1-(5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
13-acetoxy-trideca-1,3t,5t,11t-tetraene-7,9-diyne|Ac-(all-E)-2,8,10,12-Tridecatetraene-4,6-diyn-l-ol|all-trans-Tridecatetraen-(2,8,10,12)-diin-(4,6)-yl-acetat
(2E,4E,6E,12Z)-Me ester-2,4,6,12-Tetradecatetraene-8,10-diynoic acid|Tetradeca-2,4,6,12-tetraen-8,10-diin-1-saeuremethylester
13-acetoxy-trideca-8t,10t-diene-2,4,6-triyne|3E,5E-tridecadien-7,9,11-triinyl acetate|Ac-(E,E)-3,5-Triecadiene-7,9,11-triyn-1-ol|Trideca-8,10-dien-2,4,6-triin-13-ol-acetat
1,1,6-trimethylazuleno[1,8-cd]pyran-3(1H)-one|oreolactone
Spectrum5_000309
Pinosylvin methyl ether is a stilbenoid. Pinosylvin methyl ether is a natural product found in Alpinia hainanensis, Pinus contorta var. latifolia, and other organisms with data available.
2,3-Dideoxythymidine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.365 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.357 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.359
5-DEOXYTHYMIDINE
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.399 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.394 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.396 5′-Deoxythymidine is a thymidine form which 5' position replaced with hydrogen. 5'-deoxy Thymidine is effective against Bacillus subtilis and Staphylococcus aureus. 5′-Deoxythymidine can be used as a research tool for antiviral and anticancer studies[1].
L-Carnosine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.045 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.044 L-Carnosine is a dipeptide of the amino acids beta-alanine and histidine and has the potential to suppress many of the biochemical changes that accompany aging. L-Carnosine is a dipeptide of the amino acids beta-alanine and histidine and has the potential to suppress many of the biochemical changes that accompany aging. L-Carnosine is a dipeptide of the amino acids beta-alanine and histidine and has the potential to suppress many of the biochemical changes that accompany aging.
carnosine
A dipeptide that is the N-(beta-alanyl) derivative of L-histidine. C26170 - Protective Agent > C275 - Antioxidant L-Carnosine is a dipeptide of the amino acids beta-alanine and histidine and has the potential to suppress many of the biochemical changes that accompany aging. L-Carnosine is a dipeptide of the amino acids beta-alanine and histidine and has the potential to suppress many of the biochemical changes that accompany aging. L-Carnosine is a dipeptide of the amino acids beta-alanine and histidine and has the potential to suppress many of the biochemical changes that accompany aging.
porphobilinogen
A dicarboxylic acid that is pyrole bearing aminomethyl, carboxymethyl and 2-carboxyethyl substituents at positions 2, 3 and 4 respectively.
6-Isoquinolinol,1,2,3,4-tetrahydro-1-(4-pyridinyl)-(9CI)
Endo-3-amine-9-methyl-9-azabicyclo[3,3,1]nonane dihydrochloride
1-METHYL-1 H-PYRAZOLE-3,5-DICARBOXYLIC ACID DIETHYL ESTER
N-carbamoyl-5-methyl-2-oxo-3-prop-2-enyloxolane-3-carboxamide
Uracil,5-acetamido-1,3-dimethyl-6-methylamino- (6CI)
3-METHYL-1-PHENYL-6,7-DIHYDRO-1H-INDAZOL-4(5H)-ONE
6-(5-METHYL-2-OXO-2,3-DIHYDRO-1H-IMIDAZOL-4-YL)-6-OXO-HEXANOIC ACID
4-tert-butoxycarbonylamino-1-methyl-1h-pyrrole-2-carboxylic acid
8-phenyl-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one
TERT-BUTYL1-METHYL-4-NITRO-1H-PYRROLE-2-CARBOXYLATE
(1R,2R,4R)-BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID
3-(4,6-DIMETHOXYPYRIMIDIN-2-YL)PROPANOIC ACID METHYL ESTER
dl-(2-amino-2-carboxyethyl)-homocysteine-3,3,4,4-d4
2-Pyrimidinamine, 4-chloro-N-(4-piperidinylmethyl)-
2-Propyl-1H-Imidazole-4,5-Dicarboxylic Acid Dimethyl Ester
2,6-diamino-3,3,4,4,5,5,6,6-octadeuteriohexanoic acid,dihydrochloride
4-BENZYL-3,4-DIHYDROPYRROLO[1,2-A]PYRAZIN-1(2H)-ONE
3-Fluoro-5-(4-methoxytetrahydro-2H-pyran-4-yl)phenol
1H-Pyrazolo[3,4-d]pyrimidine,4-hydrazinyl-1-phenyl-
(8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL)METHANAMINE DIHYDROCHLORIDE
4-PHENYL-5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDIN-2(1H)-ONE
Chromium(3+),tris(1,2-ethanediamine-kN1,kN2)-, chloride (1:3), (OC-6-11)-
Proxibarbal
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
2-Methyl-[1,1-Biphenyl]-4-Carboxylic Acid Methyl Ester
3,5-Difluorobenzeneboronic acid neopentyl glycol cyclic ester
Ethyl 3-[2-fluoro-4-(hydroxymethyl)phenyl]propanoate
2-ethyl-2,3-dihydro-2-(1H-imidazol-5-yl)-1H-Inden-1-one
1-(2-Chloro-5-Methyl-pyriMidin-4-yl)-[1,4]diazepane
2-(HEXAHYDRO-1H-PYRROLIZIN-7A-YL)ETHANAMINE DIHYDROCHLORIDE
5-Methyl-4-(morpholin-4-ylmethyl)isoxazole-3-carboxylic acid
1H-Indole,2,3-dihydro-5-methoxy-2-(4-pyridinyl)-(9CI)
1-(2-HYDROXY-4,6-DIMETHOXYPHENYL)-2-(4-METHOXYPHENYL)ETHANONE
N(2)-methylharmine
A member of the class of beta-carbolines that is 9H-beta-carboline substituted by a methoxy group at position 7 and methyl groups at positions 1 and 2. It is semisynthetic derivative of harmine and has been shown to exhibit significant anti-HIV activity.
3-(1,5-dimethyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one
Nimorazole
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases > P01AB - Nitroimidazole derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
3-Deoxythymidine
D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides
(2S)-2-{[(2S)-2-azaniumylpropanoyl]amino}-3-(1H-imidazol-5-yl)propanoate
4-(4-Carbamoylpiperidin-1-yl)-4-oxobut-2-enoic acid
metyrapone
V - Various > V04 - Diagnostic agents > V04C - Other diagnostic agents > V04CD - Tests for pituitary function D009676 - Noxae > D000963 - Antimetabolites D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
Phenethyl benzoate
A benzoate ester resulting from the formal condensation of the carboxy group of benzoic acid with the hydroxy group of 2-phenylethanol.
Ala-His zwitterion
A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ala-His.
3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D004791 - Enzyme Inhibitors > D065105 - Aromatic Amino Acid Decarboxylase Inhibitors D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents
His-Ala zwitterion
A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of His-Ala. Major species at pH 7.3.
4-(4-ethylphenyl)benzoic acid
{"Ingredient_id": "HBIN009957","Ingredient_name": "4-(4-ethylphenyl)benzoic acid","Alias": "SBB000662; 4-Ethylbiphenyl-4'-carboxylic acid; 4'-Ethyl-4-biphenylcarboxylic acid","Ingredient_formula": "C15H14O2","Ingredient_Smile": "CCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O","Ingredient_weight": "226.27 g/mol","OB_score": "42.0591024","CAS_id": "NA","SymMap_id": "SMIT07240","TCMID_id": "NA","TCMSP_id": "MOL005490","TCM_ID_id": "NA","PubChem_id": "521801","DrugBank_id": "NA"}
