Exact Mass: 445.122
Exact Mass Matches: 445.122
Found 131 metabolites which its exact mass value is equals to given mass value 445.122,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Tetrahydrofolic acid
Tetrahydrofolate is a soluble coenzyme (vitamin B9) that is synthesized de novo by plants and microorganisms, and absorbed from the diet by animals. It is composed of three distinct parts: a pterin ring, a p-ABA (p-aminobenzoic acid) and a polyglutamate chain with a number of residues varying between 1 and 8. Only the tetra-reduced form of the molecule serves as a coenzyme for C1 transfer reactions. In biological systems, the C1-units exist under various oxidation states and the different tetrahydrofolate derivatives constitute a family of related molecules named indistinctly under the generic term folate. (PMID 16042593). Folate is important for cells and tissues that rapidly divide. Cancer cells divide rapidly, and drugs that interfere with folate metabolism are used to treat cancer. Methotrexate is a drug often used to treat cancer because it inhibits the production of the active form, tetrahydrofolate. Unfortunately, methotrexate can be toxic, producing side effects such as inflammation in the digestive tract that make it difficult to eat normally. -- Wikipedia; Signs of folic acid deficiency are often subtle. Diarrhea, loss of appetite, and weight loss can occur. Additional signs are weakness, sore tongue, headaches, heart palpitations, irritability, and behavioral disorders. Women with folate deficiency who become pregnant are more likely to give birth to low birth weight and premature infants, and infants with neural tube defects. In adults, anemia is a sign of advanced folate deficiency. In infants and children, folate deficiency can slow growth rate. Some of these symptoms can also result from a variety of medical conditions other than folate deficiency. It is important to have a physician evaluate these symptoms so that appropriate medical care can be given. -- Wikipedia; Folinic acid is a form of folate that can help rescue or reverse the toxic effects of methotrexate. Folinic acid is not the same as folic acid. Folic acid supplements have little established role in cancer chemotherapy. There have been cases of severe adverse effects of accidental substitution of folic acid for folinic acid in patients receiving methotrexate cancer chemotherapy. It is important for anyone receiving methotrexate to follow medical advice on the use of folic or folinic acid supplements. -- Wikipedia. Low concentrations of folate, vitamin B12, or vitamin B6 may increase the level of homocysteine, an amino acid normally found in blood. There is evidence that an elevated homocysteine level is an independent risk factor for heart disease and stroke. The evidence suggests that high levels of homocysteine may damage coronary arteries or make it easier for blood clotting cells called platelets to clump together and form a clot. However, there is currently no evidence available to suggest that lowering homocysteine with vitamins will reduce your risk of heart disease. Clinical intervention trials are needed to determine whether supplementation with folic acid, vitamin B12 or vitamin B6 can lower your risk of developing coronary heart disease. -- Wikipedia. Tetrahydrofolate is a soluble coenzyme (vitamin B9) that is synthesized de novo by plants and microorganisms, and absorbed from the diet by animals. It is composed of three distinct parts: a pterin ring, a p-ABA (p-aminobenzoic acid) and a polyglutamate chain with a number of residues varying between 1 and 8. Only the tetra-reduced form of the molecule serves as a coenzyme for C1 transfer reactions. In biological systems, the C1-units exist under various oxidation states and the different tetrahydrofolate derivatives constitute a family of related molecules named indistinctly under the generic term folate. (PMID 16042593)
Dehydroaripiprazole
Dehydroaripiprazole (OPC-14857) is an active metabolite of Aripiprazole. Aripiprazole is an antipsychotic agent and is metabolized by CYP3A4 and CYP2D6 forming mainly Dehydroaripiprazole. Dehydroaripiprazole has with antipsychotic activity equivalent to Aripiprazole[1][2][3].
Lucuminamide
Lucuminamide is found in fruits. Lucuminamide is a constituent of Calocarpum sapota (marmelade plum)
5,6,7,8-Tetrahydrofolic acid
Tetrahydrofolate is a soluble coenzyme (vitamin B9) that is synthesized de novo by plants and microorganisms, and absorbed from the diet by animals. It is composed of three distinct parts: a pterin ring, a p-ABA (p-aminobenzoic acid) and a polyglutamate chain with a number of residues varying between 1 and 8. Only the tetra-reduced form of the molecule serves as a coenzyme for C1 transfer reactions. In biological systems, the C1-units exist under various oxidation states and the different tetrahydrofolate derivatives constitute a family of related molecules named indistinctly under the generic term folate. (PMID 16042593)
Dibutyryl cyclic 3',5'-cytidine monophosphate
Dehydroaripiprazole
Dehydroaripiprazole (OPC-14857) is an active metabolite of Aripiprazole. Aripiprazole is an antipsychotic agent and is metabolized by CYP3A4 and CYP2D6 forming mainly Dehydroaripiprazole. Dehydroaripiprazole has with antipsychotic activity equivalent to Aripiprazole[1][2][3].
Glisentide
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent
Metopimazine
A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
tetrahydrofolate
Tetrahydrofolic acid, also known as (6s)-tetrahydrofolate or (6s)-thfa, belongs to glutamic acid and derivatives class of compounds. Those are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Tetrahydrofolic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Tetrahydrofolic acid can be found in a number of food items such as malabar plum, parsnip, white lupine, and alpine sweetvetch, which makes tetrahydrofolic acid a potential biomarker for the consumption of these food products. Tetrahydrofolic acid may be a unique S.cerevisiae (yeast) metabolite. Tetrahydrofolic acid is a drug which is used for nutritional supplementation, also for treating dietary shortage or imbalance. Tetrahydrofolate is transported across cells by receptor-mediated endocytosis where it is needed to maintain normal erythropoiesis, synthesize purine and thymidylate nucleic acids, interconvert amino acids, methylate tRNA, and generate and use formate (DrugBank). COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(5R)-3-methyl-2(5H)furanone-(5->6)-(6S)-5,6-dihydrochelerythrine|maclekarpine A
Metopimazine
A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
tetrahydrofolic acid
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Lucuminamide
[(1S)-1-[[(2-Fluoro-6-nitrobenzoyl)phenylamino]carbonyl]propyl]carbamic acid 1,1-dimethylethyl ester
1-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium chloride
Thiazolidine, 3-(1-naphthalenylsulfonyl)-2-(2,4,5-trimethoxyphenyl)- (9CI)
3-[[[(2S,4S)-4-Mercapto-1-(4-nitrobenzyloxy)carbonyl-2-pyrrolidinyl]carbonyl]amino]benzoic acid
Paroxetine maleate
D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065690 - Cytochrome P-450 CYP2D6 Inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D049990 - Membrane Transport Modulators
1-Butanone,1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl]-,hydrochloride (1:1)
Thiazolidine, 2-(2,3-dihydro-1H-phenalen-6-yl)-3-(1-naphthalenylsulfonyl)- (9CI)
6-amino-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile
spiclomazine
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Spiclomazine (Clospirazine) is a potent mutant KRAS(G12C) inhibitor that selectively inhibits mutant KRAS-driven pancreatic cancer. Spiclomazine can eliminate KRas-GTP levels in KRAS-driven pancreatic cancer and effectively inhibit RAS-mediated signaling. Spiclomazine significantly inhibits tumor progression in mouse renal capsule xenotransplantation models[1].
(S)-tert-butyl 1-(5-bromopyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-ylcarbamate
Thiopropazate
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AB - Phenothiazines with piperazine structure C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
Thiazol-5-ylmethyl (2R,5R)-5-amino-1,6-diphenylhexan-2-ylcarbamate hydrochloride
basmisanil
C78272 - Agent Affecting Nervous System Basmisanil (RG1662) is a highly selective orally active α subunit-containing GABAA receptors (GABAAα5) negative allosteric modulator (NAMs). Basmisanil can inhibit GABAA-α5 with a Ki value of 5 nM and IC50 value of 8 nM, respectively. Basmisanil can be used for the research of multiple cognitive and psychiatric disorders[1].
2-[[Methyl[(3S)-3-(1-naphthalenyloxy)-3-(2-thienyl)propyl]amino]carbonyl]benzoic Acid
ethyl 5-(benzyloxy)-6-broMo-2-(3-hydroxypropyl)-1-Methyl-1H-indole-3-carboxylate
Loxapine succinate
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Loxapine succinate is an orally active dopamine inhibitor, 5-HT receptor antagonist and also a dibenzoxazepine anti-psychotic agent. Loxapine can also suppresses bacterial efflux pump activity and inhibit intracellular multiple-antibiotic-resistant Salmonella enterica serovar Typhimurium in macrophages[1][4][6].
4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor
N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D061965 - Matrix Metalloproteinase Inhibitors
(1s,6r)-3-{[3-(Trifluoromethyl)-5,6-Dihydro[1,2,4]triazolo[4,3-A]pyrazin-7(8h)-Yl]carbonyl}-6-(2,4,5-Trifluorophenyl)cyclohex-3-En-1-Amine
D007004 - Hypoglycemic Agents > D054873 - Dipeptidyl-Peptidase IV Inhibitors D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors
Cerlapirdine hydrochloride
C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist
4-[(4Z)-4-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
N-(9-ethyl-3-carbazolyl)-2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]acetamide
3-amino-6-benzyl-N-(2-fluorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
[9-(Benzenesulfonyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-(4-methylphenyl)methanone
4-Hydroxy-3-[2-oxo-3-(thieno[3,2-B]pyridine-2-sulfonylamino)-pyrrolidin-1-ylmethyl]-benzamidine
(S)-2-(Phosphonoxy)caproyl-L-leucyl-P-nitroanilide
N-[4-Chloro-3-(pyridin-3-yloxymethyl)-phenyl]-3-fluoro-
Glisentide
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent
Baicalin(1-)
The carbohydrate acid derivative anion that is the conjugate base of baicalin.
(6R,7S)-7-[[(5R)-5-azaniumyl-5-carboxylatopentanoyl]amino]-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
N-[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]-2-(methylthio)-1,3-benzothiazol-6-amine
N-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(2-fluorophenyl)-4-oxo-2-quinazolinyl]thio]acetamide
2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-pyridin-3-ylacetamide
N-(2,3-dihydro-1H-inden-5-yl)-2-[(6-fluoro-4-oxo-3-phenyl-2-quinazolinyl)thio]acetamide
N-(2,3-dihydro-1H-inden-5-yl)-2-[(5-fluoro-4-oxo-3-phenyl-2-quinazolinyl)thio]acetamide
O-(pantetheine-4-phosphoryl)serine
A serine derivative in which L-serine is substituted on oxygen by a pantetheine 4-phosphate group.
2-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide
1-(1-tert-butyl-5-tetrazolyl)-N-[(4-chlorophenyl)methyl]-N-(2-oxolanylmethyl)-1-thiophen-2-ylmethanamine
biochanin A 7-O-beta-D-glucoside(1-)
A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of biochanin A 7-O-beta-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Methyl 3-[(diphenylacetyl)amino]-4-oxo-2-thioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxylate
N-[5-(4-methoxyphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
5-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2-furanylmethyl)pentanamide
2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-7-methoxyfuro[2,3-b]quinoline
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]acetamide
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
[5-[2-(3,4-Dimethoxyphenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]methyl 2-methylcyclopropane-1-carboxylate
2-(2,6-Difluorophenyl)-3-(4,6-diphenylpyrimidin-2-yl)thiazolidin-4-one
(2S,4S)-4-(4-bromophenyl)-2-(4-hydroxybutoxy)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
N-[(E)-[3-(1-Benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-1H-indole-3-carboxamide
1-epijosephinine Trifluoroacetic acid
A natural product found in Crinum asiaticum var. sinicum.
N-[4-(4-methylphenyl)-2-thiazolyl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetamide
2-Chloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]oxazepine butanedioic acid
(3aS,4S,9bR)-8-bromo-4-(hydroxymethyl)-N-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-[[oxo(5-thiazolyl)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
(3aS,4R,9bR)-8-bromo-4-(hydroxymethyl)-N-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
(3aR,4S,9bS)-8-bromo-4-(hydroxymethyl)-N-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
(3aR,4R,9bS)-8-bromo-4-(hydroxymethyl)-N-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
(6S)-5,6,7,8-tetrahydrofolic acid
A derivative of folic acid in which the pteridine ring is fully reduced; it is the parent compound of a variety of coenzymes that serve as carriers of one-carbon groups in metabolic reactions.
BPTU
BPTU (BMS-646786) is a non-nucleotide P2Y1 receptor allosteric antagonist with antithrombotic activity. BPTU is able to block the P2Y1 receptor located at the neuromuscular junction of the gastrointestinal tract[1][2].
Quipazine (dimaleate)
Quipazine dimaleate is a 5-HT agonist with a Ki value of 1.4 nM for displaces [3H]GR65630 from 5-HT3R in rat. Quipazine dimaleate shows antiviral activity against SARS-CoV-2 with an EC50 of 31.64 μM. Quipazine dimaleate behaves as a 5-HT3R antagonist in peripheral models. Quipazine dimaleate can be used for neurological disease research[1][2][3][4].
