Exact Mass: 235.0245
Exact Mass Matches: 235.0245
Found 362 metabolites which its exact mass value is equals to given mass value 235.0245,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Carboxin
CONFIDENCE standard compound; INTERNAL_ID 456; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8170; ORIGINAL_PRECURSOR_SCAN_NO 8169 CONFIDENCE standard compound; INTERNAL_ID 456; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8163; ORIGINAL_PRECURSOR_SCAN_NO 8162 CONFIDENCE standard compound; INTERNAL_ID 456; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8129; ORIGINAL_PRECURSOR_SCAN_NO 8127 CONFIDENCE standard compound; INTERNAL_ID 456; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8224; ORIGINAL_PRECURSOR_SCAN_NO 8222 CONFIDENCE standard compound; INTERNAL_ID 456; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8211; ORIGINAL_PRECURSOR_SCAN_NO 8210 CONFIDENCE standard compound; INTERNAL_ID 456; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8221; ORIGINAL_PRECURSOR_SCAN_NO 8218 D016573 - Agrochemicals D010575 - Pesticides Carboxin (Carboxine) is a systemic agricultural fungicide and seed protectant.
Pamidronate
Pamidronate is only found in individuals that have used or taken this drug.Pamidronate, marketed as pamidronate disodium pentahydrate under the brand name Aredia, is a bisphosphonate. [Wikipedia]The mechanism of action of pamidronate is inhibition of bone resorption. Pamidronate adsorbs to calcium phosphate (hydroxyapatite) crystals in bone and may directly block dissolution of this mineral component of bone. In vitro studies also suggest that inhibition of osteoclast activity contributes to inhibition of bone resorption. Pamidronate also targets farnesyl pyrophosphate (FPP) synthase. Nitrogen-containing bisphosphonates (such as pamidronate, alendronate, risedronate, ibandronate and zoledronate) appear to act as analogues of isoprenoid diphosphate lipids, thereby inhibiting FPP synthase, an enzyme in the mevalonate pathway. Inhibition of this enzyme in osteoclasts prevents the biosynthesis of isoprenoid lipids (FPP and GGPP) that are essential for the post-translational farnesylation and geranylgeranylation of small GTPase signalling proteins. This activity inhibits osteoclast activity and reduces bone resorption and turnover. In postmenopausal women, it reduces the elevated rate of bone turnover, leading to, on average, a net gain in bone mass. M - Musculo-skeletal system > M05 - Drugs for treatment of bone diseases > M05B - Drugs affecting bone structure and mineralization > M05BA - Bisphosphonates C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates
LY404039
LY404039 is a potent, selective and orally active mGluR2 and mGluR3 agonist with Kis of 149 nM and 92 nM for recombinant human mGluR2 and mGluR3, respectively. LY404039 shows >100-fold selectivity for mGluR2/3 over other receptors/transproters. LY404039 has antipsychotic and anxiolytic effects[1].
Asparaginylcysteine
Asparaginylcysteine is a dipeptide composed of asparagine and cysteine. 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.
6-Succinoaminopurine
6-Succinoaminopurine is endogenously metabolite produced in man. It has been shown to be an intermediate in the conversion of inosinic acid to adenylic acid. No consistent changes in adenine or hypoxanthine excretion occurred when 6-Succinoaminopurine excretion changed. [HMDB] 6-Succinoaminopurine is endogenously metabolite produced in man. It has been shown to be an intermediate in the conversion of inosinic acid to adenylic acid. No consistent changes in adenine or hypoxanthine excretion occurred when 6-Succinoaminopurine excretion changed.
Cysteinyl-Asparagine
Cysteinyl-Asparagine is a dipeptide composed of cysteine and asparagine. 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.
5-(4-Methoxybenzylidene)-1,3-thiazolidine-2,4-dione
alpha-(Chloromethyl)-2-hydroxymethyl-5-nitroimidazole-1-ethanol
(4R)-3-((2S)-3-Mercapto-2-methylpropanoyl)-4-thiazolidinecarboxylic acid
Esterase
Esterase belongs to alkaloids and derivatives class of compounds. Those are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic propertiesand is also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus. Esterase can be found in a number of food items such as fig, cabbage, wild leek, and white cabbage, which makes esterase a potential biomarker for the consumption of these food products. A wide range of different esterases exist that differ in their substrate specificity, their protein structure, and their biological function . C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist
N,N-dihydroxy-L-tryptophan
N,n-dihydroxy-l-tryptophan belongs to indolyl carboxylic acids and derivatives class of compounds. Those are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring. N,n-dihydroxy-l-tryptophan is slightly soluble (in water) and a weakly acidic compound (based on its pKa). N,n-dihydroxy-l-tryptophan can be found in a number of food items such as abalone, flaxseed, fig, and bamboo shoots, which makes n,n-dihydroxy-l-tryptophan a potential biomarker for the consumption of these food products.
Esterase
C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist
2,5-dimethyl-1-(2-thienylmethyl)pyrrole-3-carboxylic acid
Arecoline hydrobromide
C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist
2-methyl-6-methylthioisoquinoline-3,5,8(2H)-trione
Esterase
C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist
CARBOXIN
D016573 - Agrochemicals D010575 - Pesticides Carboxin (Carboxine) is a systemic agricultural fungicide and seed protectant.
2-(2-HYDROXY-ETHYL)-1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOLE-5-CARBOXYLIC ACID
8-NITRO-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTER
(S)-3-(1,3-DIOXOISOINDOLIN-2-YL)-2-HYDROXYPROPANOIC ACID
1-[2-(3-FLUORO-4-METHYLPHENYL)-1,3-THIAZOL-4-YL]ETHAN-1-ONE
Pyrido[3,2-d]pyrimidine-3(2H)-acetic acid,1,4-dihydro--alpha--methyl-2,4-dioxo-
4-ISOXAZOLECARBOXYLIC ACID, 3-(4-FLUOROPHENYL)-5-METHYL-, METHYL ESTER
2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
2-oxo-4-(4-pyridinyl)-1,2-dihydro-5-pyrimidinecarboxylic acid hydrate
Methyl 3-amino-4-(methylsulfonyl)thiophene-2-carboxylate
Hydrazinecarboximidamide,2-[(5-nitro-2-furanyl)methylene]-, hydrochloride (1:1)
6-chloro-5-ethoxypyridine-2-carboximidamide,hydrochloride
3-chloro-6-ethoxypyridine-2-carboximidamide,hydrochloride
3-[5-(4-Fluorophenyl)-1,3-oxazol-2-yl]propanoic acid
n-[4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]glycine
7-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
1,2-dihydro-2-oxo-6-(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester
5-amino-2-trifluoromethoxybenzoic acid Methyl ester
Ethyl 6-fluoro-4-oxo-1,4-dihydroquinoline-2-carboxylate
1,7-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid(SALTDATA: FREE)
6-(4-methoxyphenyl)-3-sulfanylidene-2H-1,2,4-triazin-5-one
(s)-(+)-2-chlorophenylglycine methyl ester hydrochloride
ethyl 5-(4-fluorophenyl)-1,3-oxazole-4-carboxylate
2-(3-(methylsulfonyl)phenyl)ethanamine hydrochloride
methyl 3-(methylsulfonamido)thiophene-2-carboxylate
ethyl 2-[[2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate
Propanoic acid, 2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-, (2R)-
2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid
2-benzofurancarboxylic acid, 6-nitro-, ethyl ester
Pyrimidine, 4-(4-piperidinyl)-, hydrochloride (1:2)
2-Ethoxy-5-(trifluoromethyl)pyridine-3-boronic acid
8-hydroxy-4,5,6-trioxo-1H-quinoline-2-carboxylic acid
3-(2-FURYL)ACRYLIC ACID*N-HYDROXYSUCCINI MIDE ESTER
8-CHLORO-5-(TRIFLUOROMETHYL)-1,2,3,4-TETRAHYDROQUI
2-(3-FLUORO-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
5-NITRO-1H-BENZIMIDAZOLE-2-CARBOXYLIC ACID ETHYL ESTER
2-(2-FLUORO-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
6-chloro-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde
3-Bromo-1-azetidinecarboxylic acid tert-butyl ester
5-METHYL-5-(4-NITRO-PHENYL)-IMIDAZOLIDINE-2,4-DIONE
5-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propan-1-one
5-acetyl-3,4-dimethylthieno[2,3-b]thiophene-2-carbonitrile
2-Chloro-6-(4-oxopiperidin-1-yl)isonicotinonitrile
Ethyl 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylate
2-MERCAPTO-6-OXO-4-(2-THIENYL)-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE
N-[3-(5-Mercapto-1H-1,2,3,4-tetraazol-1-yl)phenyl]acetamide
1-(4-CHLOROPHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-ACETICACI
2-[(4-METHYLSULFONYL)PHENYL]ETHYLAMINEHYDROCHLORIDE
2-Quinoxalinecarboxylicacid, 3,4-dihydro-7-nitro-3-oxo-
4-Chloro-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
1-[3-AMINO-5-(4-FLUOROPHENYL)-2-THIENYL!ETHAN-1-ONE
1-(3-chloro-4-methoxyphenyl)-1h-pyrrole-2-carbaldehyde
4-ALLYL-5-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
3-(2-OXO-5-(TRIFLUOROMETHYL)PYRIDIN-1(2H)-YL)PROPANOIC ACID
7-AMINO-3,4-DIHYDRO-1H-QUINOXALIN-2-ONE DIHYDROCHLORIDE
ETHYL 6-OXO-2-(TRIFLUOROMETHYL)-1,6-DIHYDROPYRIDINE-3-CARBOXYLATE
ethyl 4-oxo-6-(trifluoromethyl)-1H-pyridine-2-carboxylate
1,2-Benzisoxazole-3-methanesulfonic acid sodium salt
ethyl 1,4-dihydro-8-fluoro-4-oxoquinoline-3-carboxylate
Lazabemide hydrochloride
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
2-[4-(1,2,3-THIADIAZOL-4-YL)PHENYL]ETHANETHIOAMIDE
ETHANONE, 1-[3-(4-CHLOROPHENYL)-5-METHYL-4-ISOXAZOLYL]-
1-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]hydrazine
5-NITRO-PYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
(2S)-2-(3-CHLORO-2,4,5-TRIFLUOROPHENYL)PYRROLIDINE
(R)-Methyl 2-amino-2-(5-fluoro-2-hydroxyphenyl)acetate hydrochloride
4-chloro-6-(methoxymethyl)-2-(3-pyridyl)pyrimidine
1,3,5-Triazine-2,4-diamine,6-(chloromethyl)-N2-phenyl-
4-CHLORO-5-METHYL-6-((2-METHYLPYRIDIN-3-YL)OXY)PYRIMIDINE
5-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide
2-OXO-4-(3-PYRIDINYL)-1,2-DIHYDRO-5-PYRIMIDINECARBOXYLIC ACID HYDRATE
5-NITRO-IMIDAZO[1,2-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
(2b,3b,4a,16a)-2,3,16,23-Tetrahydroxyolean-12-en-28-oicacid
METHYL 3-(2,5-DIMETHYL-1H-PYRROL-1-YL)THIOPHENE-2-CARBOXYLATE
D-2-Chlorophenylglycine methyl ester hydrochloride
7-FLUOROBENZO-2-OXA-1,3-DIAZOLE-4-SULFONIC ACID AMMONIUM SALT
(4-(5-(methylamino)-1,3,4-thiadiazol-2-yl)phenyl)boronic acid
4-methyl-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-thiazole-5-carboxylic acid
Methyl 5-(aminomethyl)-2-chlorobenzoate hydrochloride
Ethyl 5-amino-2,6-dichloropyrimidine-4-carboxylate
5-Chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
N(pros)-phospho-L-histidine
A histidine derivative in which L-histidine has been phosphorylated on the pros N atom.
5-(4-Methoxybenzylidene)-1,3-thiazolidine-2,4-dione
4-Thiazolidinecarboxylic acid, 3-(3-mercapto-2-methyl-1-oxopropyl)-
(1z)-1-(3-Ethyl-5-Hydroxy-1,3-Benzothiazol-2(3h)-Ylidene)propan-2-One
1-[5-(Trifluoromethyl)pyridin-2-yl]sulfanylpropan-2-one
(2R,4R,5R,6S)-2,4,5-trihydroxy-6-[(1S)-1-hydroxy-2-oxoethyl]oxane-2-carboxylate
(2S,3S,4R,5S,6S)-5-acetamido-3,4,6-trihydroxyoxane-2-carboxylic acid
5-amino-2-(1,2-dihydroxyethyl)-2-hydroxy-1,3-dioxocane-4,8-dione
Benzoic acid [4-oxo-thiazolidin-(2E)-ylidene]-hydrazide
1-(4-Chlorophenyl)-2-(3-methyl-1-imidazol-3-iumyl)ethanone
PAMIDRONIC ACID
M - Musculo-skeletal system > M05 - Drugs for treatment of bone diseases > M05B - Drugs affecting bone structure and mineralization > M05BA - Bisphosphonates C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates
INDY
A member of the class of benzothiazoles that is 2,3-dihydro-1,3-benzothiazole substituted by 2-oxopropylidene, ethyl, and hydroxy groups at positions 2, 3 and 5, respectively. It is an ATP-competitive inhibitor of Dyrk1A and Dyrk1B (IC50 of 0.24 muM and 0.23 muM, respectively).
(Rac)-ABT-202 (dihydrochloride)
(Rac)-ABT-202 dihydrochloride is a racemate of ABT-202. ABT-202 is an agonist of nicotinic acetylcholine receptors (nAChRs) and can be used as an analgesic[1].
