Exact Mass: 425.04496639999996
Exact Mass Matches: 425.04496639999996
Found 84 metabolites which its exact mass value is equals to given mass value 425.04496639999996,
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
[C12H19N4O7P2S]+ (425.04496639999996)
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
toltrazuril
C18H14F3N3O4S (425.0657080000001)
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
Phosphomethylphosphonic acid adenosyl ester
2-Sulfamoyl-5-(5-(p-tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzoic acid
C18H14F3N3O4S (425.0657080000001)
Doravirine
C17H11ClF3N5O3 (425.05024820000006)
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
hydroxytyrosol acetate sulphate
C13H15NO13S (425.02641000000006)
[(2R,3S,5R)-5-[6-(Methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
EP_M424
C17H13ClFN3O5S (425.0248450000001)
CONFIDENCE Tentative identification only (Level 3); INTERNAL_ID 2205
[(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
N-[[(2-benzoyl-4-chlorophenyl)(chloroacetyl)amino]methylene]chloroacetohydrazide
1-[2-(2,4-DICHLOROPHENOXY)PHENYL]-5-PHENYL-1H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID
benzyl (2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidine-1-c arboxylate
C21H20BrN3O2 (425.07388000000003)
fluorescein isothiocyanate i hydrochloride
C21H12ClNO5S (425.0124692000001)
CTS-1027
C19H20ClNO6S (425.0699810000001)
9-(4-bromobutyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
C20H19BrF3NO (425.06020200000006)
3-pyridylmethyl-triphenyl phosphonium chloride hydrochloride
C24H22Cl2NP (425.08668420000004)
(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
Triphenyl(2-pyridylmethyl)phosphonium chloride hydrochloride
C24H22Cl2NP (425.08668420000004)
Phosphomethylphosphonic acid adenosyl ester
D004791 - Enzyme Inhibitors
3-(5-((6-Amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy)-2-chlorophenoxy)-5-chlorobenzonitrile
3-(Difluoromethyl)-N-methoxy-1-methyl-N-(1-methyl-2-(2,4,6-trichlorophenyl)ethyl)-1H-pyrazole-4-carboxamide
N-(2,4-dichlorophenyl)sulfonyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanimidamide
C16H13Cl2N5O3S (425.0116128000001)
2-{4-[4-(4-Chloro-phenoxy)-benzenesulfonyl]-tetrahydro-pyran-4-YL}-N-hydroxy-acetamide
C19H20ClNO6S (425.0699810000001)
(2e)-N-{4-[(3-Bromophenyl)amino]quinazolin-6-Yl}-4-(Dimethylamino)but-2-Enamide
C20H20BrN5O (425.08511300000004)
(4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione
C21H20BrN3O2 (425.07388000000003)
(2S)-2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-2-phenyl-N-pyridin-4-ylacetamide
Doravirine
C17H11ClF3N5O3 (425.05024820000006)
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
Phosphomethylphosphonic acid adenosyl ester
D004791 - Enzyme Inhibitors
[(2R,3S,5R)-5-[6-(Methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
[(2S,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl](1H-1,2,4-triazol-1-yl)methyl hydrogen sulfate
C17H13ClFN3O5S (425.0248450000001)
5-Adenylyl sulfate(2-)
C10H12N5O10PS-2 (425.00425020000006)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
5-O-{[(hydroxyphosphinato)oxy]phosphinato}adenosine
C10H13N5O10P2-2 (425.01376580000004)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Tetrahydrothiamin pyrophosphate
C12H19N4O7P2S-3 (425.04496639999996)
[(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
Methyl 2-acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoate
C14H14F3N3O5S2 (425.03269500000005)
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
4-chloro-N-[1-{[(3-methylphenyl)amino]carbonyl}-2-(5-nitro-2-furyl)vinyl]benzamide
C21H16ClN3O5 (425.07784360000005)
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
C17H19N3O4S3 (425.05376540000003)
N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-2-fluorobenzamide
2-[[2-(2,4-dichlorophenoxy)-1-oxopropyl]hydrazo]-N-(4-methoxyphenyl)-2-oxoacetamide
C18H17Cl2N3O5 (425.05452120000007)
Methyl [1-({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbonothioyl)-3-oxo-2-piperazinyl]acetate
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
Guanosine-5-phosphate-2,3-cyclic phosphate
C10H13N5O10P2 (425.01376580000004)
5-carboxymethylaminomethyl-2-O-methyluridine 5-monophosphate
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
[(R)-[(2S,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]-(1,2,4-triazol-1-yl)methyl] hydrogen sulfate
C17H13ClFN3O5S (425.0248450000001)
Thiamine diphosphate
C12H19N4O7P2S+ (425.04496639999996)
D018977 - Micronutrients > D014815 - Vitamins
5-Adenylyl sulfate(2-)
C10H12N5O10PS (425.00425020000006)
An organic dianion arising from deprotonation of the phosphate and sufate groups of 5-adenylyl sulfate; major species at pH 7.3.
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).
ADP(2-)
C10H13N5O10P2 (425.01376580000004)
An organophosphate oxoanion obtained by deprotonation of two of the three diphosphate OH groups of adenosine 5-diphosphate.
thiamine(1+) diphosphate
C12H19N4O7P2S (425.04496639999996)
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.