Exact Mass: 425.0867
Exact Mass Matches: 425.0867
Found 136 metabolites which its exact mass value is equals to given mass value 425.0867,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Glucosinalbin
Glucosinalbin is found in american pokeweed. Glucosinalbin is isolated from Brassica seeds.
Thiamine pyrophosphate
Thiamine pyrophosphate is the active form of thiamine, and it serves as a cofactor for several enzymes involved primarily in carbohydrate catabolism. The enzymes are important in the biosynthesis of a number of cell constituents, including neurotransmitters, and for the production of reducing equivalents used in oxidant stress defenses and in biosyntheses and for synthesis of pentoses used as nucleic acid precursors. The chemical structure of TPP is that of an aromatic methylaminopyrimidine ring, linked via a methylene bridge to a methylthiazolium ring with a pyrophosphate group attached to a hydroxyethyl side chain. In non-enzymatic model studies it has been demonstrated that the thiazolium ring can catalyse reactions which are similar to those of TPP-dependent enzymes but several orders of magnitude slower. Using infrared and NMR spectrophotometry it has been shown that the dissociation of the proton from C2 of the thiazolium ring is necessary for catalysis; the abstraction of the proton leads to the formation of a carbanion (ylid) with the potential for a nucleophilic attack on the carbonyl group of the substrate. In all TPP-dependent enzymes the abstraction of the proton from the C2 atom is the first step in catalysis, which is followed by a nucleophilic attack of this carbanion on the substrate. Subsequent cleavage of a C-C bond releases the first product with formation of a second carbanion (2-greek small letter alpha-carbanion or enamine). The formation of this 2-greek small letter alpha-carbanion is the second feature of TPP catalysis common to all TPP-dependent enzymes. Depending on the enzyme and the substrate(s), the reaction intermediates and products differ. Methyl-branched fatty acids, as phytanic acid, undergo peroxisomal beta-oxidation in which they are shortened by 1 carbon atom. This process includes four steps: activation, 2-hydroxylation, thiamine pyrophosphate dependent cleavage and aldehyde dehydrogenation. In the third step, 2-hydroxy-3-methylacyl-CoA is cleaved in the peroxisomal matrix by 2-hydroxyphytanoyl-CoA lyase (2-HPCL), which uses thiamine pyrophosphate (TPP) as cofactor. The thiamine pyrophosphate dependence of the third step is unique in peroxisomal mammalian enzymology. Human pathology due to a deficient alpha-oxidation is mostly linked to mutations in the gene coding for the second enzyme of the sequence, phytanoyl-CoA hydroxylase (EC 1.14.11.18). (PMID: 12694175, 11899071, 9924800) [HMDB] Thiamine pyrophosphate (CAS: 154-87-0) is the active form of thiamine, and it serves as a cofactor for several enzymes involved primarily in carbohydrate catabolism. These enzymes are important in the biosynthesis of several cell constituents, including neurotransmitters, and for the production of reducing equivalents used in oxidant stress defences. The enzymes are also important for the synthesis of pentoses used as nucleic acid precursors. The chemical structure of TPP is that of an aromatic methylaminopyrimidine ring, linked via a methylene bridge to a methylthiazolium ring with a pyrophosphate group attached to a hydroxyethyl side chain. In non-enzymatic model studies, it has been demonstrated that the thiazolium ring can catalyze reactions that are similar to those of TPP-dependent enzymes but several orders of magnitude slower. Using infrared and NMR spectrophotometry it has been shown that the dissociation of the proton from C2 of the thiazolium ring is necessary for catalysis; the abstraction of the proton leads to the formation of a carbanion with the potential for a nucleophilic attack on the carbonyl group of the substrate. In all TPP-dependent enzymes, the abstraction of the proton from the C2 atom is the first step in catalysis, which is followed by a nucleophilic attack of this carbanion on the substrate. Subsequent cleavage of a C-C bond releases the first product with the formation of a second carbanion (enamine). This formation is the second feature of TPP catalysis common to all TPP-dependent enzymes. Depending on the enzyme and the substrate(s), the reaction intermediates and products differ. Methyl-branched fatty acids, as phytanic acid, undergo peroxisomal beta-oxidation in which they are shortened by 1 carbon atom. This process includes four steps: activation, 2-hydroxylation, thiamine pyrophosphate-dependent cleavage, and aldehyde dehydrogenation. In the third step, 2-hydroxy-3-methylacyl-CoA is cleaved in the peroxisomal matrix by 2-hydroxyphytanoyl-CoA lyase (2-HPCL), which uses thiamine pyrophosphate (TPP) as a cofactor. The thiamine pyrophosphate dependence of the third step is unique in peroxisomal mammalian enzymology. Human pathology due to a deficient alpha-oxidation is mostly linked to mutations in the gene coding for the second enzyme of the sequence, phytanoyl-CoA hydroxylase (EC 1.14.11.18) (PMID:12694175, 11899071, 9924800). D018977 - Micronutrients > D014815 - Vitamins KEIO_ID C077
Ketotifen fumarate
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents Ketotifen (HC 20-511) fumarate is an orally active second-generation noncompetitive histamine 1 (H1) receptor blocker and mast cell stabilizer. Ketotifen fumarate can block 6-phosphogluconate dehydrogenase (PGD) in vitro. Ketotifen fumarate also has antiviral activity against SARS-CoV-2 and Influenza virus. Ketotifen fumarate can be used to the research of autoimmune encephalomyelitis (EAE) and asthma attack prevention[1][2][3][4].
toltrazuril
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
((4-(3-(4-Fluoro-alpha-hydroxybenzyl)-4-hydroxyphenoxy)-3,5-dimethylphenyl)amino)oxoacetate
Phosphomethylphosphonic acid adenosyl ester
2-Sulfamoyl-5-(5-(p-tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzoic acid
Doravirine
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AG - Non-nucleoside reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
[(2R,3S,5R)-5-[6-(Methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
6-hydroxyindole-3-carboxylic acid 6-O-(6-malonyl)beta-D-glucopyranoside
N-1-{[4-(2,6-Dicyanophenyl)piperazino](methylthio)methylidene}benzene-1-sulfonamide
N-(2-Cyanoethyl)-N-[3,5-bis(trifluoromethyl)phenyl]-N-tetrahydrofuran-2-ylmethylthiourea
2-(4-hydroxy-3-methoxybenzoyloxymethyl)-4-O-beta-D-glucopyranosyloxy-2(E)-butenenitrile|nigrumin-4-hydroxy-3-methoxybenzoate
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(4-hydroxyphenyl)-N-sulfooxyethanimidothioate
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(4-hydroxyphenyl)-N-sulfooxyethanimidothioate_major
Cys Cys Asn Ser
Cys Cys Ser Asn
Cys Asn Cys Ser
Cys Asn Ser Cys
Cys Ser Cys Asn
Cys Ser Asn Cys
Asn Cys Cys Ser
Asn Cys Ser Cys
Asn Ser Cys Cys
Ser Cys Cys Asn
Ser Cys Asn Cys
Ser Asn Cys Cys
6-Bromo-2-(cyclohexylmethyl)-3-(hydroxymethyl)-4-phenyl-1(2H)-iso quinolinone
benzyl (2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidine-1-c arboxylate
1-O-tert-butyl 4-O-ethyl 4-[(4-bromophenyl)methyl]piperidine-1,4-dicarboxylate
CTS-1027
9-(4-bromobutyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
3-pyridylmethyl-triphenyl phosphonium chloride hydrochloride
tert-butyl 4-((3-fluoro-5-(trifluoromethyl)phenylsulfonyl)Methyl)piperidine-1-carboxylate
4-AMINOPHENYL 2,3,4-TRI-O-ACETYL-β-D-GLUCURONIDE METHYL ESTER
1-(2-nitro-1-imidazolyl)-2-o-tetrahydropyranyl-3-o-toluenesulfonyl-propanediol
(9H-FLUOREN-9-YL)METHYL 2,4-DICHLORO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDINE-6(5H)-CARBOXYLATE
1,3-DIBENZYL-1-(7-CHLOROTHIAZOLO[5,4-D]PYRIMIDIN-2-YL)THIOUREA
(3R,4S)-1-(4-chlorophenyl)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one
Triphenyl(2-pyridylmethyl)phosphonium chloride hydrochloride
Phosphomethylphosphonic acid adenosyl ester
D004791 - Enzyme Inhibitors
Ethylbenzhydramine methyl iodide
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds
3-(5-((6-Amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy)-2-chlorophenoxy)-5-chlorobenzonitrile
[5-Chloro-1H-indol-2-carbonyl-phenylalaninyl]-azetidine-3-carboxylic acid
N-[4-[(8-ethoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]acetamide
2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide
2-{4-[4-(4-Chloro-phenoxy)-benzenesulfonyl]-tetrahydro-pyran-4-YL}-N-hydroxy-acetamide
(2e)-N-{4-[(3-Bromophenyl)amino]quinazolin-6-Yl}-4-(Dimethylamino)but-2-Enamide
5-(3-{3-[3-Hydroxy-2-(methoxycarbonyl)phenoxy]propenyl}phenyl)-4-(hydroxymethyl)isoxazole-3-carboxylic acid
N-(5-Chloro-1,3-Benzodioxol-4-Yl)-N-(3-Morpholin-4-Ylphenyl)pyrimidine-2,4-Diamine
(4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione
(2S)-2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-2-phenyl-N-pyridin-4-ylacetamide
Doravirine
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AG - Non-nucleoside reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
Paroxetine Mesylate
C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
Phosphomethylphosphonic acid adenosyl ester
D004791 - Enzyme Inhibitors
[(2R,3S,5R)-5-[6-(Methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(4-hydroxyphenyl)-N-sulfooxyethanimidothioate
11-(3-amino-3-carboxypropanoyl)-1,5-dioxo-12,12a-dihydro-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid
[1-[3,4-Dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]-2,4,5,6,7-pentahydroxyheptan-3-yl] hydrogen sulfate
ALIMTA
D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D000970 - Antineoplastic Agents
8-(2-Chlorophenyl)-3-(4-ethoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-pyridinylsulfonyl)piperazine
1-[1-(4-Methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thio]ethanone
2-Cyclopentylacetic acid [2-[(3-chloro-9,10-dioxo-2-anthracenyl)amino]-2-oxoethyl] ester
1-(4-Butylphenyl)-3-[4-chloro-3-(dimethylsulfamoyl)phenyl]thiourea
4-chloro-N-[1-{[(3-methylphenyl)amino]carbonyl}-2-(5-nitro-2-furyl)vinyl]benzamide
2-[(5,6-dimethyl-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-(2-furanylmethyl)acetamide
2-[2-[[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]thio]-4-thiazolyl]acetic acid ethyl ester
N-[3-cyano-1-(2-furanylmethyl)-10-methyl-5-oxo-2-dipyrido[3,4-c:1,2-f]pyrimidinylidene]-2-furancarboxamide
2-[[2-(2,4-dichlorophenoxy)-1-oxopropyl]hydrazo]-N-(4-methoxyphenyl)-2-oxoacetamide
1-[2-(Diethylsulfamoyl)-4-nitroanilino]-3-(4-fluorophenyl)urea
N-(4-methoxyphenyl)-2-(3-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
1,3-Dimethyl-5-[[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
1-(1,3-Benzodioxol-5-yl)-3-[4-[(phenylmethyl)sulfamoyl]phenyl]urea
4-Methoxy-3-[2-phenylethyl-(phenylmethyl)sulfamoyl]benzoic acid
2-[4-[2-(4-Chlorophenyl)ethylamino]-3-nitrophenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Ethyl 4-[2-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]piperidine-1-carboxylate
N-(3-{N-[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-phenoxyacetamide
5-(6-O-malonyl-beta-D-glucosyloxy)-indole-3-carboxylic acid
An indolyl carbohydrate that is indole-3-carboxylic acid in which the hydrogen at position 5 is replaced by a 6-O-malonyl-beta-D-glucosyloxy group.
2-[[[4-(Diethylsulfamoyl)phenyl]-oxomethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester
N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2,2,2-trifluoroacetamide
(E)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-quinolin-2-ylprop-2-en-1-one
Diphenyl-[1-(phenylmethyl)-3-imidazo[1,2-a]pyridin-4-iumyl]-sulfanylidenephosphorane
5-carboxymethylaminomethyl-2-O-methyluridine 5-monophosphate
(E)-4-hydroxy-4-oxobut-2-enoate;2-(1-methylpiperidin-1-ium-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one
(2S,3R)-8-bromo-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
(1R,5S)-6-(3-chlorophenyl)sulfonyl-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
11-(3-amino-3-carboxypropanoyl)-1-hydroxy-5-oxo-6,12-dihydro-5H-pyrido[3,2-a]phenoxazine-3-carboxylic acid
2-{[3-(aminomethyl)phenyl]amino}-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one
Glucosinalbin
Glucosinalbin is an alkylglucosinolate. Glucosinalbin is a natural product found in Sinapis alba, Brassica oleracea, and other organisms. Glucosinalbin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=19253-84-0 (retrieved 2024-08-19) (CAS RN: 19253-84-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
thiamine(1+) diphosphate
A thiamine phosphate that is thiamine(1+) in which the hydroxy group has been replaced by a diphosphate group. It is the active form of vitamin B1 and an essential cofactor for enzymes in key metabolic pathways.
Thiamine pyrophosphate
Thiamine pyrophosphate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=154-87-0 (retrieved 2024-07-02) (CAS RN: 154-87-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Thiamine pyrophosphate is the coenzyme form of Vitamin B1 and is a required intermediate in the pyruvate dehydrogenase complex and the ketoglutarate dehydrogenase complex.
AMPK activator 12
AMPK activator 12 (compound 21) is a potent AMPK activator and GDF15 inducer. AMPK activator 12 increases GDF15 protein levels in human hepatic cells[1].
Antiviral agent 24
Antiviral agent 24 is a potent antiviral agent with EC50 values of 0.101, 19.9, 91.2 μM for EV71, CVA21, EV68, respectively. Antiviral agent 24 inhibits METTL3/METTL14 activity in a dose-dependent manner[1].
JNJ-55308942
JNJ-55308942 is a high-affinity, selective, brain-penetrant P2X7 functional antagonist (hP2X7: IC50=10 nM, Ki=7.1 nM; rP2X7: IC50=15 nM, Ki=2.9 nM). JNJ-55308942 is orally bioavailable, binds to brain P2X7 and blocks IL-1β release from adult rodent brain[1][2].
XEN723
XEN723 is a novel and potent thiazolylimidazolidinone inhibitor of Stearoyl-CoA Desaturase (SCD1) with IC50s of 45 and 524 nM in mouse and HepG2 cell, respectively.
