Exact Mass: 425.0715234
Exact Mass Matches: 425.0715234
Found 125 metabolites which its exact mass value is equals to given mass value 425.0715234,
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)
Tulopafant
C25H19N3O2S (425.11979140000005)
[(2R,3S,5R)-5-[6-(Methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
Cepharanone A N-beta-D-glucoside
C22H19NO8 (425.11106140000004)
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
C17H17F6N3OS (425.09964640000004)
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
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
2-(Tributylstannyl)-1,3-benzothiazole
C19H31NSSn (425.11990760000003)
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)
1-O-tert-butyl 4-O-ethyl 4-[(4-bromophenyl)methyl]piperidine-1,4-dicarboxylate
C20H28BrNO4 (425.12015880000007)
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
(3R,4S)-1-(4-chlorophenyl)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one
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
[5-Chloro-1H-indol-2-carbonyl-phenylalaninyl]-azetidine-3-carboxylic acid
C22H20ClN3O4 (425.1142270000001)
3-(Difluoromethyl)-N-methoxy-1-methyl-N-(1-methyl-2-(2,4,6-trichlorophenyl)ethyl)-1H-pyrazole-4-carboxamide
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
C19H20ClNO6S (425.0699810000001)
(2e)-N-{4-[(3-Bromophenyl)amino]quinazolin-6-Yl}-4-(Dimethylamino)but-2-Enamide
C20H20BrN5O (425.08511300000004)
5-(3-{3-[3-Hydroxy-2-(methoxycarbonyl)phenoxy]propenyl}phenyl)-4-(hydroxymethyl)isoxazole-3-carboxylic acid
C22H19NO8 (425.11106140000004)
(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)
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
8-(2-Chlorophenyl)-3-(4-ethoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
C22H20ClN3O2S (425.09646900000007)
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
2-Cyclopentylacetic acid [2-[(3-chloro-9,10-dioxo-2-anthracenyl)amino]-2-oxoethyl] ester
C23H20ClNO5 (425.1029940000001)
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
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
N-[3-cyano-1-(2-furanylmethyl)-10-methyl-5-oxo-2-dipyrido[3,4-c:1,2-f]pyrimidinylidene]-2-furancarboxamide
C23H15N5O4 (425.11239900000004)
2-[[2-(2,4-dichlorophenoxy)-1-oxopropyl]hydrazo]-N-(4-methoxyphenyl)-2-oxoacetamide
C18H17Cl2N3O5 (425.05452120000007)
1-[2-(Diethylsulfamoyl)-4-nitroanilino]-3-(4-fluorophenyl)urea
C17H20FN5O5S (425.11691220000006)
Methyl [1-({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbonothioyl)-3-oxo-2-piperazinyl]acetate
1-(1,3-Benzodioxol-5-yl)-3-[4-[(phenylmethyl)sulfamoyl]phenyl]urea
C21H19N3O5S (425.1045364000001)
2-[4-[2-(4-Chlorophenyl)ethylamino]-3-nitrophenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
C22H20ClN3O4 (425.1142270000001)
Ethyl 4-[2-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]piperidine-1-carboxylate
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
C22H20FN3O3S (425.1209342000001)
5-carboxymethylaminomethyl-2-O-methyluridine 5-monophosphate
(1R,5S)-6-(3-chlorophenyl)sulfonyl-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
C22H20ClN3O2S (425.09646900000007)
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
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
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.
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].
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].
[(e)-[2-(3-hydroxyphenyl)-1-{[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid
[(z)-[2-(4-hydroxyphenyl)-1-{[(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid
(1r,3r,4r,5r,7r,9r,11s,12s,13s)-5-(6-aminopurin-9-yl)-1,4,12,13-tetrahydroxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylic acid
4,6-dihydroxy-5-methoxy-3-propyl-7-[(3r)-2,3,4-trihydroxyindol-3-yl]naphthalene-1,2-dione
C22H19NO8 (425.11106140000004)
5-{[(2s,3r,4s,5s,6r)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-1h-indole-3-carboxylic acid
(2e)-3-(1h-1,3-benzodiazol-2-yl)-1-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)prop-2-en-1-one
[(e)-[2-(4-hydroxyphenyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid
10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.0²,⁶.0⁸,¹⁹.0¹³,¹⁸]nonadeca-1(19),2(6),7,11,13(18),14,16-heptaen-9-one
C22H19NO8 (425.11106140000004)
10-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.0²,⁶.0⁸,¹⁹.0¹³,¹⁸]nonadeca-1(19),2(6),7,11,13(18),14,16-heptaen-9-one
C22H19NO8 (425.11106140000004)