Exact Mass: 421.0863
Exact Mass Matches: 421.0863
Found 201 metabolites which its exact mass value is equals to given mass value 421.0863,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bendroflumethiazide
Bendroflumethiazide is only found in individuals that have used or taken this drug. It is a thiazide diuretic with actions and uses similar to those of hydrochlorothiazide. It has been used in the treatment of familial hyperkalemia, hypertension, edema, and urinary tract disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p810)As a diuretic, bendroflumethiazide inhibits active chloride reabsorption at the early distal tubule via the Na-Cl cotransporter, resulting in an increase in the excretion of sodium, chloride, and water. Thiazides like bendroflumethiazide also inhibit sodium ion transport across the renal tubular epithelium through binding to the thiazide sensitive sodium-chloride transporter. This results in an increase in potassium excretion via the sodium-potassium exchange mechanism. The antihypertensive mechanism of bendroflumethiazide is less well understood although it may be mediated through its action on carbonic anhydrases in the smooth muscle or through its action on the large-conductance calcium-activated potassium (KCa) channel, also found in the smooth muscle. C - Cardiovascular system > C03 - Diuretics > C03A - Low-ceiling diuretics, thiazides > C03AA - Thiazides, plain D045283 - Natriuretic Agents > D004232 - Diuretics > D049993 - Sodium Chloride Symporter Inhibitors C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49185 - Thiazide Diuretic D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D049990 - Membrane Transport Modulators
Glucoerucin
Glucoerucin belongs to the class of organic compounds known as alkylglucosinolates. These are organic compounds containing a glucosinolate moiety that carries an alkyl chain. Outside of the human body, glucoerucin has been detected, but not quantified in, several different foods, such as cabbages and Brassicas. This could make glucoerucin a potential biomarker for the consumption of these foods. Glucoerucin is isolated from the seeds of salad rocket (Eruca sativa) and Brussels sprouts (Brassica oleracea var. gemmifera). Isolated from seeds of salad rocket (Eruca sativa) and Brussels sprouts (Brassica oleracea variety gemmifera). Glucoerucin is found in many foods, some of which are brussel sprouts, turnip, brassicas, and common cabbage. D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D007096 - Imidoesters Acquisition and generation of the data is financially supported in part by CREST/JST.
3,4-Dimethoxy-N-(4-(3-nitrophenyl)thiazol-2-yl)benzenesulfonamide
N-[4-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide
3-(6-Methylpyridin-2-yl)-N-phenyl-4-(quinolin-4-yl)-1H-pyrazole-1-carbothioamide
N-[4-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide
Leukadherin-1
Sulfosuccinimidobiotin
Neurokinin-1 Receptor Antagonist
1D-6-O-(2-amino-2-deoxy-alpha-D-glucopyranosyl)-chiro-inositol 1-phosphate
Glucoerucin
A thia-alkylglucosinolic acid that consists of 1-thio-beta-D-glucopyranose having a 5-(methylsulfanyl)-N-(sulfooxy)pentanimidoyl group attached to the anomeric sulfur. Acquisition and generation of the data is financially supported by the Max-Planck-Society
3-(4-Methyl-thiazol-2-yl)-7-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-chromen-4-one
BENDROFLUMETHIAZIDE
C - Cardiovascular system > C03 - Diuretics > C03A - Low-ceiling diuretics, thiazides > C03AA - Thiazides, plain D045283 - Natriuretic Agents > D004232 - Diuretics > D049993 - Sodium Chloride Symporter Inhibitors C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49185 - Thiazide Diuretic D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D049990 - Membrane Transport Modulators
Piragliatin
CONFIDENCE standard compound; INTERNAL_ID 985; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3431; ORIGINAL_PRECURSOR_SCAN_NO 3429 C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent CONFIDENCE standard compound; INTERNAL_ID 985; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3421; ORIGINAL_PRECURSOR_SCAN_NO 3418 CONFIDENCE standard compound; INTERNAL_ID 985; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3414; ORIGINAL_PRECURSOR_SCAN_NO 3413 CONFIDENCE standard compound; INTERNAL_ID 985; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3421; ORIGINAL_PRECURSOR_SCAN_NO 3419 CONFIDENCE standard compound; INTERNAL_ID 985; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3430; ORIGINAL_PRECURSOR_SCAN_NO 3428 CONFIDENCE standard compound; INTERNAL_ID 985; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7552; ORIGINAL_PRECURSOR_SCAN_NO 7548 CONFIDENCE standard compound; INTERNAL_ID 985; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7558; ORIGINAL_PRECURSOR_SCAN_NO 7553 INTERNAL_ID 985; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7580; ORIGINAL_PRECURSOR_SCAN_NO 7576 CONFIDENCE standard compound; INTERNAL_ID 985; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7580; ORIGINAL_PRECURSOR_SCAN_NO 7576 CONFIDENCE standard compound; INTERNAL_ID 985; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7590; ORIGINAL_PRECURSOR_SCAN_NO 7586
Ala Cys Asp Asn
Ala Cys Asn Asp
Ala Asp Cys Asn
Ala Asp Asn Cys
Ala Asn Cys Asp
Ala Asn Asp Cys
Cys Ala Asp Asn
Cys Ala Asn Asp
Cys Asp Ala Asn
Cys Asp Gly Gln
Cys Asp Asn Ala
Cys Asp Gln Gly
Cys Glu Gly Asn
Cys Glu Asn Gly
Cys Gly Asp Gln
Cys Gly Glu Asn
Cys Gly Asn Glu
Cys Gly Gln Asp
Cys Asn Ala Asp
Cys Asn Asp Ala
Cys Asn Glu Gly
Cys Asn Gly Glu
Cys Gln Asp Gly
Cys Gln Gly Asp
Asp Ala Cys Asn
Asp Ala Asn Cys
Asp Cys Ala Asn
Asp Cys Gly Gln
Asp Cys Asn Ala
Asp Cys Gln Gly
Asp Gly Cys Gln
Asp Gly Gln Cys
Asp Asn Ala Cys
Asp Asn Cys Ala
Asp Gln Cys Gly
Asp Gln Gly Cys
Glu Cys Gly Asn
Glu Cys Asn Gly
Glu Gly Cys Asn
Glu Gly Asn Cys
Glu Asn Cys Gly
Glu Asn Gly Cys
Gly Cys Asp Gln
Gly Cys Glu Asn
Gly Cys Asn Glu
Gly Cys Gln Asp
Gly Asp Cys Gln
Gly Asp Gln Cys
Gly Glu Cys Asn
Gly Glu Asn Cys
Gly Asn Cys Glu
Gly Asn Glu Cys
Gly Gln Cys Asp
Gly Gln Asp Cys
Asn Ala Cys Asp
Asn Ala Asp Cys
Asn Cys Ala Asp
Asn Cys Asp Ala
Asn Cys Glu Gly
Asn Cys Gly Glu
Asn Asp Ala Cys
Asn Asp Cys Ala
Asn Glu Cys Gly
Asn Glu Gly Cys
Asn Gly Cys Glu
Asn Gly Glu Cys
Gln Cys Asp Gly
Gln Cys Gly Asp
Gln Asp Cys Gly
Gln Asp Gly Cys
Gln Gly Cys Asp
Gln Gly Asp Cys
YM-58483
2-([4-(2-Chlorophenyl)-5-methoxycarbonyl-3-ethoxycarbonyl-6-methyl-2-pyridyl]methoxyacetic acid
4-(4-CHLORO-PHENYL)-3-METHYL-1-PHENYL-1H-INDENO[1,2-B]PYRAZOLO[4,3-E]PYRIDIN-5-ONE
Chlorotripyrrolidinophosphonium hexafluorophosphate
5-O-tert-butyl 1-O-ethyl 3-iodo-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-1,5-dicarboxylate
3-(4-CHLORO-PHENYL)-2-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-PROPIONIC ACID
2-[[4-[ethyl(2-phenoxyethyl)amino]phenyl]azo]-5-nitro-3-Thiophenecarbonitrile
4-Chloro-N-[1-[2-(4-nitrophenyl)ethyl]-2-piperidinylidene]benzenesulfonamide
Fmoc-(R)-3-Amino-3-(2-chloro-phenyl)-propionic acid
fmoc-(r)-3-amino-3-(3-chloro-phenyl)-propionic acid
fmoc-(s)-3-amino-3-(2-chloro-phenyl)-propionic acid
fmoc-(s)-3-amino-3-(3-chloro-phenyl)-propionic acid
Methylbenactyzium Bromide
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent Methylbenactyzium Bromide is a muscarinic acetylcholine receptor (mAChR) inhibitor.
Rucaparib phosphate
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C62554 - Poly (ADP-Ribose) Polymerase Inhibitor D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
tert-Butyl 6-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
tert-Butyl 4-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
3-benzhydrylsulfanyl-2-phenylmethoxycarbonylamino-propanoic acid
BENZYL ((1R,2S)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-1-HYDROXYPROPAN-2-YL)CARBAMATE
Sonedenoson
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
3-acetamido-6-acetyl-2-nitrophenyl 4-(dimethylamino)-3,5-difluorobenzoate
2-({(5R)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1H-isoindole-1,3(2H)-dione
2-[[(5S)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-1H-isoindole-1,3(2H)-dione
Aldose reductase-IN-1
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C72880 - Aldose Reductase Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Dezapelisib
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
(E)-4-(5-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoicacid
2-[(4-Chlorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
Ethyl 4-(benzenesulfonyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylate
Sarafloxacin hydrochloride
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
1-(5-Bromo-pyridin-2-yl)-3-[2-(6-fluoro-2-hydroxy-3-propionyl-phenyl)-cyclopropyl]-urea
(2r)-4-[(8r)-8-Methyl-2-(Trifluoromethyl)-5,6-Dihydro[1,2,4]triazolo[1,5-A]pyrazin-7(8h)-Yl]-4-Oxo-1-(2,4,5-Trifluorophenyl)butan-2-Amine
alpha-L-galactopyranose-6-sulfate-(1,3)-beta-D-galactose
11-(3-Azaniumyl-3-carboxylatopropanoyl)-1-oxido-5-oxopyrido[3,2-a]phenoxazine-3-carboxylate
(2S)-2-[4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]anilino]butanedioic acid
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-5-methylsulfanyl-N-sulfooxypentanimidothioate
Picolinic acid, chromium salt
D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents
1-(4-chlorophenyl)-5-methyl-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)-4-pyrazolecarboxamide
[4-(Butan-2-ylamino)-6-chloro-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide
2-Furanyl-[4-[3-(4-methoxyphenyl)-7-isothiazolo[4,5-d]pyrimidinyl]-1-piperazinyl]methanone
[4-[2-(3-Chlorophenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-phenyl-2-thiazolyl)acetamide
2-[[[5-(3-chlorophenyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole
2-[[2-[[5-(4-Tert-butylphenyl)-2-methoxycarbonyl-3-thiophenyl]amino]-2-oxoethyl]thio]acetic acid
N-(2,5-dimethoxyphenyl)-4-[(7H-purin-6-ylthio)methyl]benzamide
2-[[4-(2-Methoxyphenyl)sulfonyl-1-piperazinyl]sulfonyl]benzonitrile
N-[2-(4-acetyl-1-piperazinyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
N-{[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}thiophene-2-carboxamide
3-(1H-indol-3-yl)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]propanamide
N-(4-acetamidophenyl)-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]acetamide
[2-[(1,1-Dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
[5-(4-Bromophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone
2-(1,3-Dimethylbenzimidazol-2-ylidene)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-oxobutanenitrile
2-({(E)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylidene}amino)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
3-(Tert-butylsulfamoyl)-4-phenyl-5-(trifluoromethyl)-2-thiophenecarboxylic acid methyl ester
2-[[5-(4-chlorophenyl)-1-(2-methoxyethyl)-2-imidazolyl]thio]-N-(thiophen-2-ylmethyl)acetamide
6-(4-Bromophenyl)-2-(4-methoxyphenyl)-1-aza-4-azoniatricyclo[5.4.1.04,12]dodeca-2,4(12),6-triene
5-{[4-({Hydroxy[(4-nitrophenyl)amino]phosphoryl}methyl)phenyl]amino}-5-oxopentanoic acid
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-piperidin-1-ylsulfonylbenzamide
[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-[(1-hydroxy-2-oxoethyl)amino]-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
3-(4-Methyl-thiazol-2-yl)-7-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-chromen-4-one
BAY-4931
BAY-4931 is a potent, covalent and selective PPARγ inverse-agonist with an IC50 of 0.17 nM[1].
MF-438
MF-438 is a potent and orally bioavailable stearoyl-CoA desaturase 1 (SCD1) inhibitor with an IC50 of 2.3 nM for rSCD1[1].
p53-MDM2-IN-1
p53-MDM2-IN-1 (Example 30) is an inhibitor of p53-MDM2/X protein interaction with an Ki value of 23.35 μM. p53-MDM2-IN-1 can be used for anti-tumor research[1].
UNC9995
UNC9995 is a β-arrestin2-biased agonist of dopamine receptor Drd2. UNC9995 inhibits NLRP3 inflammasome activation by enhancing β-arrestin2-NLRP3 interaction, thus prevents neuronal degeneration. Futhermore, UNC9995 activates the Drd2/β-arrestin2 signaling to prevent inflammation-related genes transcription-induced by JAK/STAT3. UNC9995 improves depressive behavior in mouse model, and improves astrocytes dysfunctions[1].
1-caffeoyl galactose-6-sulphate
{"Ingredient_id": "HBIN002429","Ingredient_name": "1-caffeoyl galactose-6-sulphate","Alias": "NA","Ingredient_formula": "C15H17O12S?","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2901","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
