Exact Mass: 248.0691
Exact Mass Matches: 248.0691
Found 233 metabolites which its exact mass value is equals to given mass value 248.0691,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Dapsone
A sulfone active against a wide range of bacteria but mainly employed for its actions against mycobacterium leprae. Its mechanism of action is probably similar to that of the sulfonamides which involves inhibition of folic acid synthesis in susceptible organisms. It is also used with pyrimethamine in the treatment of malaria. (From Martindale, The Extra Pharmacopoeia, 30th ed, p157-8) CONFIDENCE standard compound; INTERNAL_ID 857; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5725; ORIGINAL_PRECURSOR_SCAN_NO 5723 CONFIDENCE standard compound; INTERNAL_ID 857; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5706; ORIGINAL_PRECURSOR_SCAN_NO 5704 CONFIDENCE standard compound; INTERNAL_ID 857; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5675; ORIGINAL_PRECURSOR_SCAN_NO 5671 CONFIDENCE standard compound; INTERNAL_ID 857; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5709; ORIGINAL_PRECURSOR_SCAN_NO 5707 CONFIDENCE standard compound; INTERNAL_ID 857; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5694; ORIGINAL_PRECURSOR_SCAN_NO 5692 CONFIDENCE standard compound; INTERNAL_ID 857; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5720; ORIGINAL_PRECURSOR_SCAN_NO 5718 J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04B - Drugs for treatment of lepra > J04BA - Drugs for treatment of lepra D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007917 - Leprostatic Agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C254 - Anti-Infective Agent > C849 - Sulfone Anti-Infective Agent D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists CONFIDENCE standard compound; EAWAG_UCHEM_ID 3644 CONFIDENCE standard compound; INTERNAL_ID 1024 KEIO_ID A220; [MS2] KO008829 KEIO_ID A220 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
L-beta-aspartyl-L-aspartic acid
L-beta-aspartyl-l-aspartic acid is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha Amino Acids and Derivatives. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom. It is found in urine (PMID: 3782411). A dipeptide found in urine (PMID: 3782411). This is a proteolytic breakdown product of larger proteins. [HMDB] β-Aspartylaspartic acid is a natural compound found in Asparagus (Asparagus officinalis) Shoots[1].
Coriandrone E
Constituent of Coriandrum sativum (coriander) (Umbelliferae). Coriandrone E is found in coriander and herbs and spices. Coriandrone E is found in coriander. Coriandrone E is a constituent of Coriandrum sativum (coriander) (Umbelliferae)
Aspartyl-Aspartate
Aspartyl-Aspartate is a dipeptied compoosed of two aspartate residues. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Enoximone
Enoximone is a selective phosphodiesterase inhibitor with vasodilating and positive inotropic activity that does not cause changes in myocardial oxygen consumption. It is used in patients with congestive heart failure. Trials were halted in the U.S., but the drug is used in various countries. C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CE - Phosphodiesterase inhibitors D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D020011 - Protective Agents > D002316 - Cardiotonic Agents
6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
C26170 - Protective Agent > C1509 - Neuroprotective Agent Selisistat (EX-527) is a potent and selective SirT1 (Sir2 in Drosophila melanogaster) inhibitor with an IC50 of 123 nM for SirT1. Selisistat alleviates pathology in multiple animal and cell models of Huntington's disease[1][2].
3-(3-(Pyridin-3-yl)-1,2,4-oxadiazol-5-yl)benzonitrile
NS9283 is a positive positive allosteric modulator of (α4)3(β2)2 nicotinic ACh receptors. NS9283 can be used in a series of neurological conditions such as attention deficit hyperactivity disorder (ADHD), schizophrenia, Parkinson's disease and Alzheimer's disease[1].
2-(5'-methylthio)pentylmalate
2-(5-methylthio)pentylmalate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 2-(5-methylthio)pentylmalate can be found in a number of food items such as colorado pinyon, yellow bell pepper, asian pear, and celery stalks, which makes 2-(5-methylthio)pentylmalate a potential biomarker for the consumption of these food products.
3-(5'-methylthio)pentylmalate
3-(5-methylthio)pentylmalate is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 3-(5-methylthio)pentylmalate can be found in a number of food items such as evening primrose, other bread, sunflower, and broad bean, which makes 3-(5-methylthio)pentylmalate a potential biomarker for the consumption of these food products.
HARMINE HCl
Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1].
Harmine
Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1].
1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]thiourea
Naphtho[2,3-c]furan-1,4-dione, 3,3a,9,9a-tetrahydro-6-hydroxy-7-methoxy-
6-Ethyl-2,5,7-trihydroxy-3-methyl-1,4-naphthoquinone
2,3-Didehydro,Me ether-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid
2-Naphthalenecarboxylic acid, 5-hydroxy-4,6-dimethoxy-
2-Naphthalenecarboxylic acid, 6-hydroxy-5,7-dimethoxy-
5-hydroxy-3,6-dimethoxy-2-methylnaphthalene-1,4-dione
2-Methoxy-3,4-dihydroxy-1,2,3,4-tetrahydrodibenzofuran-1-one
lawsonaphthoate A|methyl 1,6-dihydroxy-4-methoxynaphthalene-2-carboxylate
2-Methyl-3,5-dimethoxy-6-hydroxy-1,4-naphthoquinone
Epoxide,Ac,Me ester-(Z,Z)-10-Hydroxy-2,8-decadiene-4,6-diynoic acid|methyl 2(Z)-10-acetoxy-8,9-epoxydecen-4,6-diynoate
2-Naphthalenecarboxylic acid, 6-hydroxy-4,5-dimethoxy-
6-acetyl-7-hydroxy-2-isopropylidene-benzo[1,4]dioxin-3-one
Selisistat
C26170 - Protective Agent > C1509 - Neuroprotective Agent Selisistat (EX-527) is a potent and selective SirT1 (Sir2 in Drosophila melanogaster) inhibitor with an IC50 of 123 nM for SirT1. Selisistat alleviates pathology in multiple animal and cell models of Huntington's disease[1][2].
Asp-Asp
A dipeptide formed from two L-aspartic acid units. Beta-Aspartylaspartic acid is an aspartic acid derivative. β-Aspartylaspartic acid is a natural compound found in Asparagus (Asparagus officinalis) Shoots[1].
HARMINE HCl
Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1].
3-(4-hydroxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoic acid
3-(4-hydroxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoic acid
dapsone
J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04B - Drugs for treatment of lepra > J04BA - Drugs for treatment of lepra D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007917 - Leprostatic Agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C254 - Anti-Infective Agent > C849 - Sulfone Anti-Infective Agent D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3,3-Sulfonyldianiline
CONFIDENCE standard compound; INTERNAL_ID 984; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5699; ORIGINAL_PRECURSOR_SCAN_NO 5698 CONFIDENCE standard compound; INTERNAL_ID 984; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5698; ORIGINAL_PRECURSOR_SCAN_NO 5694 CONFIDENCE standard compound; INTERNAL_ID 984; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5724; ORIGINAL_PRECURSOR_SCAN_NO 5723 CONFIDENCE standard compound; INTERNAL_ID 984; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5733; ORIGINAL_PRECURSOR_SCAN_NO 5730 CONFIDENCE standard compound; INTERNAL_ID 984; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5745; ORIGINAL_PRECURSOR_SCAN_NO 5744 CONFIDENCE standard compound; INTERNAL_ID 984; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5735; ORIGINAL_PRECURSOR_SCAN_NO 5733
3-(4-hydroxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoic acid_major
Propanoic acid, 2-hydroxy-3-[(4-hydroxy-1-naphthalenyl)oxy]-
Enoximone
C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CE - Phosphodiesterase inhibitors D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D020011 - Protective Agents > D002316 - Cardiotonic Agents
EX-527
Selisistat (EX-527) is a potent and selective SirT1 (Sir2 in Drosophila melanogaster) inhibitor with an IC50 of 123 nM for SirT1. Selisistat alleviates pathology in multiple animal and cell models of Huntington's disease[1][2].
Coriandrone E
Sulfabenz
C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-THIAZOLECARBOXYLICACID,4-(4-AMINOPHENYL)-,ETHYLESTER
Ethyl 4-methyl-2-(3-pyridinyl)-1,3-thiazole-5-carboxylate
2,4-dihydroxy-3-propyl-1,1,1-trifluoroacetophenone
3,4-DIFLUORO-3-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
4,4-DIFLUORO-3-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
4,6-DIFLUORO-3-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
methyl 5-(1,3-dioxolan-2-yl)-1-benzofuran-2-carboxylate
ethyl 2-(3-aminophenyl)-1,3-thiazole-4-carboxylate
5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
4,6(1H,5H)-Pyrimidinedione,5-ethyldihydro-5-phenyl-2-thioxo-
EX-527 (S-enantiomer)
(S)-Selisistat ((S)-EX-527) is a potent and selective SIRT1 inhibitor, with an IC50 of 98 nM.
3-ANILINO-2-CYANO-3-MERCAPTOACRYLIC ACID ETHYL ESTER
2-(4-chlorophenyl)-1,3-diazaspiro[4.4]non-1-en-4-one
3-(3-(PYRIDIN-2-YL)-1,2,4-OXADIAZOL-5-YL)BENZONITRILE
2-ACETYL-8-CHLORO-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE
2-[(5-Amino-3-methyl-1,2-oxazol-4-yl)sulfanyl]-1-phenylethanone
(3-Trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetic acid
5-(2-METHOXY-PHENOXYMETHYL)-FURAN-2-CARBOXYLIC ACID
4-(3,3-Difluoroazetidin-1-yl)piperidine dihydrochloride
ETHYL 4-METHYL-2-(PYRIDIN-2-YL)THIAZOLE-5-CARBOXYLATE
ethyl 2-amino-4-(4-pyridinyl)-3-thiophenecarboxylate
1-BENZYL-2-(METHYLSULFANYL)-1H-IMIDAZOLE-5-CARBOXYLIC ACID
4-chloro-6-(methoxymethyl)-2-(3-methylphenyl)pyrimidine
2-(4-AMINO-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
7-HYDROXY-4-OXO-8-PROPYL-4H-CHROMENE-2-CARBOXYLIC ACID
1-(3-Chloropropyl)-4-methylpiperazine dihydrochloride
[3-(thiophen-2-ylmethoxymethyl)phenyl]boronic acid
[2-(thiophen-2-ylmethoxymethyl)phenyl]boronic acid
6-amino-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
2-chloro-3-[(2R)-2-methylpiperazin-1-yl]pyrazine,hydrochloride
2-(4-(Dimethylamino)phenyl)thiazole-4-carboxylic acid
(3,4-DIFLUOROPHENYL)(4-(HYDROXYMETHYL)PHENYL)METHANONE
ETHYL 4-METHYL-2-(PYRIDIN-4-YL)THIAZOLE-5-CARBOXYLATE
1-(2,4-Dihydroxy-3-(trifluoromethyl)phenyl)-2-methylpropan-1-one
N-[3-(2-amino-1-hydroxyethyl)-4-fluorophenyl]methanesulfonamide
(R)-6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
(R)-Selisistat ((R)-EX-527) is a R-enantiomer of Selisistat. Selisistat (EX-527) is a potent and selective SIRT1 inhibitor with IC50 of 98 nM.
N-(4-fluorophenyl)carbamic acid (2-oxo-1H-pyridin-3-yl) ester
(5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
N-(6-methoxy-3-pyridinyl)-3-methyl-2-thiophenecarboxamide
5-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide
5-(Dimethylaminomethylidene)-3-phenyl-1,3-thiazolidine-2,4-dione
6-methyl-2-[2-[(3-methyl-2-thiophenyl)methylidene]hydrazinyl]-1H-pyrimidin-4-one
β-Aspartylaspartic acid
β-Aspartylaspartic acid is a natural compound found in Asparagus (Asparagus officinalis) Shoots[1].
