Exact Mass: 259.9716
Exact Mass Matches: 259.9716
Found 281 metabolites which its exact mass value is equals to given mass value 259.9716,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
BROMACIL
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 1265; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3915; ORIGINAL_PRECURSOR_SCAN_NO 3912 CONFIDENCE standard compound; INTERNAL_ID 1265; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3781; ORIGINAL_PRECURSOR_SCAN_NO 3780 CONFIDENCE standard compound; INTERNAL_ID 1265; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3766; ORIGINAL_PRECURSOR_SCAN_NO 3764 CONFIDENCE standard compound; INTERNAL_ID 1265; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3789; ORIGINAL_PRECURSOR_SCAN_NO 3784 CONFIDENCE standard compound; INTERNAL_ID 1265; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3917; ORIGINAL_PRECURSOR_SCAN_NO 3915 CONFIDENCE standard compound; INTERNAL_ID 1265; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3887; ORIGINAL_PRECURSOR_SCAN_NO 3886 CONFIDENCE standard compound; EAWAG_UCHEM_ID 266
Phosphatidylcholine O-34:2
Phosphatidylcholine O-34:2, also known as Thimet or O,O-Diethyl S-ethylmercaptomethyl dithiophosphate, is classified as a member of the Dithiophosphate O-esters. Dithiophosphate O-esters are o-ester derivatives of dithiophosphates, with the general structure RSP(O)(O)=S (R = organyl group). Phosphatidylcholine O-34:2 is a non-carcinogenic (not listed by IARC) potentially toxic compound D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
5-Methylthioribose 1-phosphate
5-Methylthioribose 1-phosphate belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms. 5-Methylthioribose 1-phosphate is an intermediate in methionine biosynthesis. It is converted from 5-deoxy-5-methylthioadenosine by 5-deoxy-5-methylthioadenosine phosphorylase. Then it is converted to methionine (PMID: 2153115). In the methionine salvage pathway, 5-methylthioribose 1-phosphate isomerase (M1Pi) catalyzes the conversion of 5-methylthioribose 1-phosphate (MTR-1-P) into 5-methylthioribulose 1-phosphate (MTRu-1-P). 5-Methylthioribose 1-phosphate is an intermediate in methionine biosynthesis. It is converted from 5-Deoxy-5-methylthioadenosine by 5-Deoxy-5-methylthioadenosine phosphorylase. Then it is converted to methionine (PMID 2153115). In the methionine salvage pathway 5-methylthioribose 1-phosphate isomerase (M1Pi) catalyzes the conversion of 5-methylthioribose 1-phosphate (MTR-1-P) to 5-methylthioribulose 1-phosphate (MTRu-1-P) [HMDB]
S-methyl-5-thio-D-ribulose 1-phosphate(2-)
S-methyl-5-thio-D-ribulose 1-phosphate(2-) is also known as 1-phospho-5-S-Methylthioribulose or 1-PMT-Ribulose. S-methyl-5-thio-D-ribulose 1-phosphate(2-) is considered to be soluble (in water) and acidic
6-deoxy-6-sulfo-D-gluconic acid
A carbohydrate sulfonate that is D-gluconic acid in which the hydroxy group at position 6 is replaced by a sulfo group.
5-Methylthioribulose 1-phosphate
5-Methylthioribulose 1-phosphate is an intermediate in the methionine salvage pathway. It is a microbial metabolite produced by gut microbes during methionine generation from methylthioadenosine. The first step is the phosphorolysis of methylthioadenosine to 5-methylthioribose-1-phosphate and adenine by the enzyme 5-deoxy- 5-methylthioadenosine phosphorylase (methylthioadenosine phosphorylase); 5-methylthioribose-1-phosphate is then converted to 5-methylthioribulose-1-phosphate (PMID: 6725268). 5-Deoxy-5-methylthioadenosine (methylthioadenosine) is a metabolite of S-adenosyl-L-methionine formed during the synthesis of the polyamines, spermidine and spermine. [HMDB]. 5-Methylthioribulose 1-phosphate is found in many foods, some of which are fireweed, lemon verbena, parsley, and fox grape. 5-Methylthioribulose 1-phosphate is an intermediate in the methionine salvage pathway. It is a microbial metabolite produced by gut microbes during methionine generation from methylthioadenosine. The first step is the phosphorolysis of methylthioadenosine to 5-methylthioribose-1-phosphate and adenine by the enzyme 5-deoxy- 5-methylthioadenosine phosphorylase (methylthioadenosine phosphorylase); 5-methylthioribose-1-phosphate is then converted to 5-methylthioribulose-1-phosphate (PMID: 6725268). 5-Deoxy-5-methylthioadenosine (methylthioadenosine) is a metabolite of S-adenosyl-L-methionine formed during the synthesis of the polyamines, spermidine and spermine.
Caffeic acid 4-O-sulfate
Caffeic acid 4-sulfate, also known as caffeate 4-sulphate or caffeic acid 4-sulphuric acid, is a member of the class of compounds known as hydroxycinnamic acids. Hydroxycinnamic acids are compounds containing an cinnamic acid where the benzene ring is hydroxylated. Caffeic acid 4-sulfate is practically insoluble (in water) and an extremely strong acidic compound (based on its pKa). Caffeic acid 4-sulfate can be found primarily in blood and urine. Within the cell, caffeic acid 4-sulfate is primarily located in the cytoplasm. It can also be found in the extracellular space. Caffeic acid 4-O-sulfate (CAS: 1213651-94-5) is a polyphenol metabolite detected in biological fluids (PMID: 20428313). Caffeic acid sulfate was found to be elevated in rat urine after whole rye consumption which makes this compound a potential urinary biomarker of whole grain intake (PMID: 26862900).
Caffeic acid 3-O-sulfate
Caffeic acid 3-O-sulfate (CAS: 1208232-16-9) is a polyphenol metabolite detected in biological fluids (PMID: 20428313). Caffeic acid sulfate was found to be elevated in rat urine after whole rye consumption which makes this compound a potential urinary biomarker of whole grain intake (PMID: 26862900).
2-Mercapto-3-phenylthieno[3,2-d]pyrimidin-4(3H)-one
3-Carboxy-7-chloro-1,2,4-benzothiadiazine-1,1-dioxide
Caffeic acid 3-sulfate
An aryl sulfate that is trans-caffeic acid in which the phenolic hydrogen at position 3 is replaced by a sulfo group. A metabolite from coffee.
1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonyl chloride
3-chloro-2-fluoro-6-(trifluoromethyl)benzoyl chloride
carbarsone
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
Methyl 5-(Trifluoromethyl)-1-Benzothiophene-2-Carboxylate
Sulfonium,dimethyl(2-oxo-2-phenylethyl)-, bromide (1:1)
3-CHLORO-4-[(CHLOROACETYL)AMINO]PHENYL THIOCYANATE
(4R,6S)-6-METHYL-7,7-DIOXIDO-5,6-DIHYDRO-4H-THIENO[2,3-B]THIOPYRAN-4-YL ACETATE
[2,4-dichloro-5-(cyclopropylmethoxy)phenyl]boronic acid
2,4-bis(trifluoromethyl)pyrimidine-5-carboxylic acid
4-BROMO-1-(TERT-BUTYL)-3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
4-BROMO-3-ETHYL-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
3-Chloro-5-(trifluoromethyl)pyridine-2-sulfonamide
4,7-Dichloro-1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid
3-(2,6-dichloropyridin-4-yl)-4-methyl-1H-1,2,4-triazole-5-thione
3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoyl chloride
5-BROMO-2,3-DIHYDROBENZO[B]FURAN-7-CARBONYL CHLORIDE
1-chloro-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one
6,8-DICHLORO-CHROMAN-3-CARBOXYLIC ACID METHYL ESTER
Acamprosate calcium
Acamprosate calcium(Campral EC) is a GABA receptor agonist and modulator of glutamatergic systems; reduces alcohol consumption in animal models of alcohol addiction. IC50 value: Target: GABA receptor Acamprosate, or N-acetyl homotaurine, is an N-methyl-D-aspartate receptor modulator approved by the Food and Drug Administration (FDA) as a pharmacological treatment for alcohol dependence.Acamprosate has low bioavailability, but also has an excellent tolerability and safety profile. In comparison with naltrexone and disulfiram, which are the other FDA-approved treatments for alcohol dependence, acamprosate is unique in that it is not metabolized by the liver and is also not impacted by alcohol use, so can be administered to patients with hepatitis or liver disease (a common comorbid condition among individuals with alcohol dependence) and to patients who continue drinking alcohol.
4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)disulfanyl]-1,3-thiazole
Propanoic acid,2-hydroxy-, zinc salt, hydrate (2:1:1)
7-CHLORO-5-(THIOPHEN-2-YL)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE
2-propenoic acid, 3-(5-bromo-3-thienyl)-, ethyl ester
TERT-BUTYL 4-BROMO-3-METHYL-1H-PYRAZOLE-1-CARBOXYLATE
(3S)-7-Hydroxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid
2,4-Dioxo-1,2,3,4-tetrahydro-quinazoline-6-sulfonyl chloride
8-BROMO-2-(METHYLTHIO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-4-OL
[2-(4-CHLOROPHENYL)-1,3-THIAZOL-4-YL]METHANAMINE HYDROCHLORIDE
3-CHLORO-6-METHOXYBENZO[B]THIOPHENE-2-CARBONYL CHLORIDE
2-(4-bromophenyl)-2-(hydroxymethyl)propane-1,3-diol
Ethyl 5,7-dichloro-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylate
pyridostigmine bromide
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
6-(5-Chloro-2-pyridyl)-5H-pyrrolo[3,4-b]pyrazine-5,7(6H)-dione
3-chloro-2-fluoro-5-(trifluoromethyl)benzoyl chloride
Methyl 4-(trifluoromethyl)-1-benzothiophene-2-carboxylate
2,3-DIOXO-1,2,3,4-TETRAHYDROQUINOXALINE-6-SULFONYL CHLORIDE
6-Chloro-5-(trifluoromethyl)pyridine-3-sulfonamide
(4-BOC-AMINO-PIPERIDIN-1-YL)-PYRIDIN-3-YL-ACETICACID
7-TRIFLUOROMETHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
6-TRIFLUOROMETHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
ETHYL 2-(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)ACETATE
4-AMINO-5-(2,4-DICHLORO-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
phorate
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals Constituent of fresh ginger (Zingiber officinale). 6Z-8-Hydroxygeraniol 8-O-glucoside is found in herbs and spices.
1-(Methylthio)ribulose 5-phosphate
A ketopentose phosphate that is D-ribulose 5-phosphate in which the 1-hydroxy group is replaced by a methylthio group.
