Exact Mass: 175.126807668
Exact Mass Matches: 175.126807668
Found 495 metabolites which its exact mass value is equals to given mass value 175.126807668,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Debrisoquine
Debrisoquine is an adrenergic neuron-blocking drug. Genetic and environmental factors are determinants of the interindividual and interethnic variability in drug metabolism. Thus, interethnic differences in debrisoquine hydroxylation polymorphism (Cytochrome p450, subfamily IID, polypeptide 6, CYP2D6) might be partly responsible for the variation in haloperidol disposition between races. The influence of tobacco, ethanol, caffeine, gender, and oral contraceptive use on the debrisoquine metabolic ratio (MR) has been analyzed in panels of healthy volunteers. About 5-10\\% of European white population has a genetically determinant defect of the CYP2D6, one of the enzymes of cytochrome P-450. This defect leads to the impaired metabolism of many drugs including various psychopharmacological agents. The measurement of the hydroxylation of debrisoquine is a laboratory test which allows identifying such an individual. Patients who show an impaired hydroxylation of debrisoquine usually demonstrate severe side effects and poor outcome of psychopharmacotherapy. In practice, knowledge of a patients debrisoquine metabolic phenotype is an advantage when prescribing tricyclic antidepressants and neuroleptics, as the drug concentration will be considerably higher in slow metabolisers than in the average patient. (PMID: 8839686, 1738265, 7878155) [HMDB] Debrisoquine is an adrenergic neuron-blocking drug. Genetic and environmental factors are determinants of the interindividual and interethnic variability in drug metabolism. Thus, interethnic differences in debrisoquine hydroxylation polymorphism (Cytochrome p450, subfamily IID, polypeptide 6, CYP2D6) might be partly responsible for the variation in haloperidol disposition between races. The influence of tobacco, ethanol, caffeine, gender, and oral contraceptive use on the debrisoquine metabolic ratio (MR) has been analyzed in panels of healthy volunteers. About 5-10\\% of European white population has a genetically determinant defect of the CYP2D6, one of the enzymes of cytochrome P-450. This defect leads to the impaired metabolism of many drugs including various psychopharmacological agents. The measurement of the hydroxylation of debrisoquine is a laboratory test which allows identifying such an individual. Patients who show an impaired hydroxylation of debrisoquine usually demonstrate severe side effects and poor outcome of psychopharmacotherapy. In practice, knowledge of a patients debrisoquine metabolic phenotype is an advantage when prescribing tricyclic antidepressants and neuroleptics, as the drug concentration will be considerably higher in slow metabolisers than in the average patient. (PMID: 8839686, 1738265, 7878155). C - Cardiovascular system > C02 - Antihypertensives > C02C - Antiadrenergic agents, peripherally acting > C02CC - Guanidine derivatives C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents COVID info from COVID-19 Disease Map ATC code: C02CC04 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Citrulline
Citrulline, also known as Cit or δ-ureidonorvaline, belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. Citrulline has the formula H2NC(O)NH(CH2)3CH(NH2)CO2H. Citrulline exists in all living species, ranging from bacteria to humans. Within humans, citrulline participates in a number of enzymatic reactions. In particular, citrulline can be biosynthesized from carbamoyl phosphate and ornithine which is catalyzed by the enzyme ornithine carbamoyltransferase. In addition, citrulline and L-aspartic acid can be converted into argininosuccinic acid through the action of the enzyme argininosuccinate synthase. In humans, citrulline is involved in the metabolic disorder called argininemia. Citrulline has also been found to be associated with several diseases such as ulcerative colitis, rheumatoid arthritis, and citrullinemia type II. Citrulline has also been linked to several inborn metabolic disorders including argininosuccinic aciduria and fumarase deficiency. Outside of the human body, citrulline is found, on average, in the highest concentration in a few different foods such as wheats, oats, and cucumbers and in a lower concentration in swiss chards, yellow wax beans, and potato. Citrulline has also been detected, but not quantified in several different foods, such as epazotes, lotus, common buckwheats, strawberry guava, and italian sweet red peppers. Citrulline is a potentially toxic compound. Proteins that normally contain citrulline residues include myelin basic protein (MBP), filaggrin, and several histone proteins, whereas other proteins, such as fibrin and vimentin are susceptible to citrullination during cell death and tissue inflammation. Citrulline is also produced as a byproduct of the enzymatic production of nitric oxide from the amino acid arginine, catalyzed by nitric oxide synthase. It is also produced from arginine as a byproduct of the reaction catalyzed by NOS family (NOS; EC1.14.13.39). [Spectral] L-Citrulline (exact mass = 175.09569) and L-Glutamate (exact mass = 147.05316) 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. Acquisition and generation of the data is financially supported in part by CREST/JST. COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Occurs in the juice of watermelon (Citrullus vulgaris) IPB_RECORD: 257; CONFIDENCE confident structure KEIO_ID C013 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 2-Amino-5-ureidopentanoic acid is an endogenous metabolite. 2-Amino-5-ureidopentanoic acid is an endogenous metabolite. L-Citrulline is an amino acid derived from ornithine in the catabolism of proline or glutamine and glutamate, or from l-arginine via arginine-citrulline pathway. L-Citrulline is an amino acid derived from ornithine in the catabolism of proline or glutamine and glutamate, or from l-arginine via arginine-citrulline pathway.
Calystegine B2
Alkaloid from Solanum tuberosum (potato), Solanum melongena (aubergine). Calystegine B2 is found in many foods, some of which are alcoholic beverages, fruits, swamp cabbage, and eggplant. Calystegine B2 is found in alcoholic beverages. Calystegine B2 is an alkaloid from Solanum tuberosum (potato), Solanum melongena (aubergine).
Carboxynorspermidine
C7H17N3O2 (175.13207020000002)
The non-proteinogenic L-alpha-amino acid that is norspermidine (1,5,9-triazanonane) carboxylated with S-configuration at the 2-position.
2-Aminoheptanedioic acid
2-Aminoheptanedioic acid is found in beverages. 2-Aminoheptanedioic acid is isolated from Ceratonia siliqua (carob Isolated from Ceratonia siliqua (carob). 2-Aminoheptanedioic acid is found in beverages and fruits.
Calystegine B5
Calystegine B5 is an alkaloid from the roots of Lycium chinense (Chinese boxthorn). Alkaloid from the roots of Lycium chinense (Chinese boxthorn)
Carboxyethyl-GABA
Induces formation of Epstein Barr Virus lymphocytes immediately following infection. (282990) [HMDB] Induces formation of Epstein Barr Virus lymphocytes immediately following infection. (282990).
Argininic acid
Tissue accumulation of argininic acid (AA) occurs in hyperargininemia. Hyperargininemia, an inborn error of the urea cycle, is caused by a severe deficiency of liver arginase, resulting in elevated tissue levels of arginine (Arg) and other guanidino compounds (GC). Affected patients present a neurological syndrome consisting of a variable degree of mental retardation, epilepsy and progressive spasticity whose pathophysiology is far from understood. Guanidino compounds accumulate in other pathological conditions such as uremia and epilepsy and some evidence supports the hypothesis that these compounds contribute to the neurological dysfunction characteristic of these diseases. The increase of these compounds occurs by blockage of the arginase reaction, activating secondary biochemical pathways. Thus, Arg is converted to α-keto-δ-guanidinovaleric acid by transamination, and this compound forms AA by hydrogenation. (PMID 12615083). AA has been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). Tissue accumulation of argininic acid (AA) occurs in hyperargininemia. Hyperargininemia, an inborn error of the urea cycle, is caused by a severe deficiency of liver arginase, resulting in elevated tissue levels of arginine (Arg) and other guanidino compounds (GC). Affected patients present a neurological syndrome consisting of a variable degree of mental retardation, epilepsy and progressive spasticity whose pathophysiology is far from understood. Guanidino compounds accumulate in other pathological conditions such as uremia and epilepsy and some evidence supports the hypothesis that these compounds contribute to the neurological dysfunction characteristic of these diseases. The increase of these compounds occurs by blockage of the arginase reaction, activating secondary biochemical pathways. Thus, Arg is converted to α-keto-δ-guanidinovaleric acid by transamination, and this compound forms AA by hydrogenation. (PMID 12615083) [HMDB]
L-argininium(1+)
L-argininium(1+), also known as L-Arginine or DL Arginine acetate, monohydrate, is classified as a member of the L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom. L-argininium(1+) is considered to be soluble (in water) and acidic
hydroxyvalerylglycine
Hydroxyvalerylglycine is classified as a member of the N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Hydroxyvalerylglycine is considered to be slightly soluble (in water) and acidic.ÂÂ
4-(Dimethylamino)butyl carbamimidothioate
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D017442 - Histamine Agonists
D-Citrulline
Citrullin, also known as cit or 2-amino-5-uredovaleric acid, is a member of the class of compounds known as alpha amino acids. 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). Citrullin is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Citrullin can be found in a number of food items such as cow milk, sesame, orange bell pepper, and pepper (c. frutescens), which makes citrullin a potential biomarker for the consumption of these food products. 2-Amino-5-ureidopentanoic acid is an endogenous metabolite. 2-Amino-5-ureidopentanoic acid is an endogenous metabolite.
Glabrin A
Constituent of the seeds of Annona glabra (pond apple). Glabrin A is found in alcoholic beverages and fruits.
Citrulline
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS L-Citrulline is an amino acid derived from ornithine in the catabolism of proline or glutamine and glutamate, or from l-arginine via arginine-citrulline pathway. L-Citrulline is an amino acid derived from ornithine in the catabolism of proline or glutamine and glutamate, or from l-arginine via arginine-citrulline pathway.
Citrulline
The parent compound of the citrulline class consisting of ornithine having a carbamoyl group at the N(5)-position. COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS relative retention time with respect to 9-anthracene Carboxylic Acid is 0.052 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.050 CONFIDENCE standard compound; ML_ID 29 L-Citrulline is an amino acid derived from ornithine in the catabolism of proline or glutamine and glutamate, or from l-arginine via arginine-citrulline pathway. L-Citrulline is an amino acid derived from ornithine in the catabolism of proline or glutamine and glutamate, or from l-arginine via arginine-citrulline pathway.
L-Citrulline
The L-enantiomer of citrulline. L-Citrulline is an amino acid derived from ornithine in the catabolism of proline or glutamine and glutamate, or from l-arginine via arginine-citrulline pathway. L-Citrulline is an amino acid derived from ornithine in the catabolism of proline or glutamine and glutamate, or from l-arginine via arginine-citrulline pathway.
PAR_176.1070_9.1
CONFIDENCE Transformation product with Reference Standard (Level 1); INTERNAL_ID 1401
Debrisoquin
C - Cardiovascular system > C02 - Antihypertensives > C02C - Antiadrenergic agents, peripherally acting > C02CC - Guanidine derivatives C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents COVID info from COVID-19 Disease Map ATC code: C02CC04 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
DMACA Reagent
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
2-Methyl-1,2,3,4-tetrahydroisoquinoline-5-carbaldehyde
Pyrido[3,2-e]pyrrolo[1,2-a]pyrazine, 5,6,6a,7,8,9-hexahydro- (9CI)
N-METHYL-N-[(3-METHYL-1,2,4-OXADIAZOL-5-YL)METHYL]AMINE
PYRIDO[4,3-D]PYRIMIDINE, 2-CYCLOPROPYL-5,6,7,8-TETRAHYDRO-
Valienamine
D007004 - Hypoglycemic Agents > D065089 - Glycoside Hydrolase Inhibitors D004791 - Enzyme Inhibitors
2-Ethyl-5,7-Dimethyl-3H-Imidazo[4,5-B]Pyridine
Adenosine receptor antagonist 4 (compound 2) is an adenosine A1 receptor antagonist with a Ki of 101 nM for human A1 receptor[1].
methyl-(7-methyl-imidazo[1,2-a]pyridin-2-ylmethyl)-amine
1-(1H-BENZO[D]IMIDAZOL-2-YL)-N,N-DIMETHYLMETHANAMINE
Benzenamine, 2-[2-(1-methylethyl)cyclopropyl]- (9CI)
1H-Benzimidazole-2-methanamine,alpha,1-dimethyl-(9CI)
Quinoline, 5,6,7,8-tetrahydro-8-(1-methylethyl)- (9CI)
Carbamic acid, (2-fluorocyclopropyl)-, 1,1-dimethylethyl ester, (1R-cis)- (9CI)
2-BICYCLO[2.2.1]HEPT-2-YL-ETHYLAMINE HYDROCHLORIDE
(4-(2-Cyanoethyl)phenyl)boronic acid
C9H10BNO2 (175.08045500000003)
1H-1-Benzazepine,2,3,4,5-tetrahydro-6,8-dimethyl-(9CI)
(1-Methyl-1H-indol-4-yl)boronic acid
C9H10BNO2 (175.08045500000003)
1-AMINO-6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-5-ONE
buta-1,3-diene,2-methylbuta-1,3-diene,prop-2-enenitrile
Pyrido[2,3-b]pyrazine-6,8-diamine, 3-methyl- (9CI)
Pyrido[2,3-b]pyrazine-6,8-diamine, 2-methyl- (9CI)
methyl-(8-methyl-imidazo[1,2-a]pyridin-2-ylmethyl)-amine
(3-(2-Cyanoethyl)phenyl)boronic acid
C9H10BNO2 (175.08045500000003)
Quinoline, 1,2,3,4-tetrahydro-6-(1-methylethyl)- (9CI)
1H-Benzimidazole-2-methanamine,alpha,5-dimethyl-(9CI)
2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine
METHYL-(5-METHYL-IMIDAZO[1,2-A]PYRIDIN-2-YLMETHYL)-AMINE
1H-Inden-1-amine,2,3-dihydro-5-(1-methylethyl)-(9CI)
1-(1,5-dimethyl-1H-indazol-3-yl)methanamine(SALTDATA: FREE)
Quinoline, 5,6,7,8-tetrahydro-4-(1-methylethyl)- (9CI)
3-(2-methyl-2H-tetrazol-5-yl)aniline(SALTDATA: FREE)
N-methyl-1-(1-methylbenzimidazol-2-yl)methanamine
6-Methyl-1,2,3,4-tetrahydroquinoline-1-carboxaldehyde
3-[(Trimethylsilyl)ethynyl]pyridine
C10H13NSi (175.08172180000003)
4-((trimethylsilyl)ethynyl)pyridine
C10H13NSi (175.08172180000003)
(1-Methyl-1H-indol-5-yl)boronic acid
C9H10BNO2 (175.08045500000003)
2-(4-methyl-1H-benzimidazol-2-yl)ethanamine dihydrochloride
Isoquinoline, 1,2,3,4-tetrahydro-1-(1-methylethyl)-, (S)- (9CI)
1-NaphthaleneMethanaMine, 5,6,7,8-tetrahydro-α-Methyl-, (αR)-
5,7-DIMETHYL-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YLAMINE
n-hydroxy-2-(tetrahydro-2h-pyran-2-yloxy)acetimidamide
3-AMINO-6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-5-ONE
(5-methyl-1H-indol-2-yl)boronic acid
C9H10BNO2 (175.08045500000003)
N-METHYL-N-[(1-METHYL-1H-INDAZOL-3-YL)METHYL]AMINE
1H-Imidazo[4,5-b]pyridine,7-methyl-2-(1-methylethyl)-(9CI)
Pegorgotein
D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants C26170 - Protective Agent > C275 - Antioxidant D001697 - Biomedical and Dental Materials
8-(Methylthio)octylamine
A primary amino compound that is octylamine in which one of the methyl hydrogens at position 8 has been replaced by a methylthio group.
L-argininium(1+)
L-argininium(1+), also known as L-Arginine or DL Arginine acetate, monohydrate, is classified as a member of the L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom. L-argininium(1+) is considered to be soluble (in water) and acidic COVID info from WikiPathways, PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(3S)-5-{[amino(iminio)methyl]amino}-3-ammoniopentanoate
(2S,4S,5S,6S)-4-(dimethylamino)-6-methyloxane-2,5-diol
(2S,4R,5R,6S)-4-(dimethylamino)-6-methyloxane-2,5-diol
(2S)-2-amino-4-[(3-aminopropyl)amino]butanoic acid
C7H17N3O2 (175.13207020000002)
N,N-Dimethylglycine, TMS derivative
C7H17NO2Si (175.10285019999998)
L-2-Aminobutyric acid, TMS derivative
C7H17NO2Si (175.10285019999998)
3-Aminoisobutyric acid, TMS derivative
C7H17NO2Si (175.10285019999998)
N-(2-(Trimethylsilyloxy)ethyl)acetamide
C7H17NO2Si (175.10285019999998)
L-citrulline zwitterion
Zwitterionic form of L-citrulline having an anionic carboxy group and a protonated amino group; major species at pH 7.3.
DL-Citrulline
2-Amino-5-ureidopentanoic acid is an endogenous metabolite. 2-Amino-5-ureidopentanoic acid is an endogenous metabolite.
(S)-2-amino-6-boronohexanoic acid
L-Norleucine substituted at C-6 with a borono group.
gramine(1+)
An organic cation obtained by protonation of the tertiary amino function of gramine; major species at pH 7.3.
2-Aminopimelic acid
An amino dicarboxylic acid that is heptanedioic acid in which a hydrogen at position 2 is replaced by an amino group. It is a component of the cell wall peptidoglycan of bacteria.
(1r,2s,3r,4r,5r)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol
(1s,2r,3s,4r,5s)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol
(2s,3s,4s,5s)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol
(2s,3r,4s,6r)-4-(dimethylamino)-6-methyloxane-2,3-diol
(1r,2s,3r,4s,5r)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol
α-1-c-ethyl-fagomine
{"Ingredient_id": "HBIN015323","Ingredient_name": "\u03b1-1-c-ethyl-fagomine","Alias": "NA","Ingredient_formula": "C8H17NO3","Ingredient_Smile": "CCC1CC(C(C(N1)CO)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7436","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}