Exact Mass: 259.96585600000003
Exact Mass Matches: 259.96585600000003
Found 241 metabolites which its exact mass value is equals to given mass value 259.96585600000003,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
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
Methazole
C9H6Cl2N2O3 (259.97554660000003)
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
C8H5ClN2O4S (259.96585600000003)
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.
5-(3,5-DICHLOROPHENYL)-5-OXOVALERIC ACID
C11H10Cl2O3 (260.00069700000006)
1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonyl chloride
3-chloro-2-fluoro-6-(trifluoromethyl)benzoyl chloride
Ethyl bromo(4-fluorophenyl)acetate
C10H10BrFO2 (259.98481519999996)
carbarsone
C7H9AsN2O4 (259.97782540000003)
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
Methyl 5-(Trifluoromethyl)-1-Benzothiophene-2-Carboxylate
ethyl 2-broMo-2-(2-fluorophenyl)acetate
C10H10BrFO2 (259.98481519999996)
2-[(4-Bromo-2-nitrophenyl)amino]ethanol
C8H9BrN2O3 (259.97965039999997)
Sulfonium,dimethyl(2-oxo-2-phenylethyl)-, bromide (1:1)
C10H13BrOS (259.98704280000004)
3-CHLORO-4-[(CHLOROACETYL)AMINO]PHENYL THIOCYANATE
2,4-bis(trifluoromethyl)pyrimidine-5-carboxylic acid
3-Chloro-5-(trifluoromethyl)pyridine-2-sulfonamide
(2E)-3-(4-Bromo-2-chlorophenyl)acrylic acid
C9H6BrClO2 (259.92396659999997)
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
C11H10Cl2O3 (260.00069700000006)
6-Quinoxalinecarbonylchloride, 2,3-dichloro-
C9H3Cl3N2O (259.93109580000004)
4-(AMINOSULFONYL)-5-CHLOROPHTHALIMIDE
C8H5ClN2O4S (259.96585600000003)
2-methyl-4-oxo-4-(3,4-dichlorophenyl)butyric acid
C11H10Cl2O3 (260.00069700000006)
Ethyl 3-(2,5-dichlorophenyl)-3-oxopropanoate
C11H10Cl2O3 (260.00069700000006)
5-BROMO-2,3-DIHYDROBENZO[B]FURAN-7-CARBONYL CHLORIDE
C9H6BrClO2 (259.92396659999997)
1-chloro-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one
6,8-DICHLORO-CHROMAN-3-CARBOXYLIC ACID METHYL ESTER
C11H10Cl2O3 (260.00069700000006)
Acamprosate calcium
C5H10NO4S .1/2 Ca (259.958234)
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
Ethyl 3-(3,5-dichlorophenyl)-3-oxopropanoate
C11H10Cl2O3 (260.00069700000006)
Propanoic acid,2-hydroxy-, zinc salt, hydrate (2:1:1)
C6H12O7Zn (259.98744519999997)
7-CHLORO-5-(THIOPHEN-2-YL)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE
2-propenoic acid, 3-(5-bromo-3-thienyl)-, ethyl ester
Acetyl chloride,2-(2,3,4,5,6-pentafluorophenoxy)-
C8H2ClF5O2 (259.96634819999997)
2,3,4,5,6-Pentafluorobenzyl chloroformate
C8H2ClF5O2 (259.96634819999997)
(3S)-7-Hydroxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid
2,4-Dioxo-1,2,3,4-tetrahydro-quinazoline-6-sulfonyl chloride
C8H5ClN2O4S (259.96585600000003)
8-BROMO-2-(METHYLTHIO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-4-OL
[2-(4-CHLOROPHENYL)-1,3-THIAZOL-4-YL]METHANAMINE HYDROCHLORIDE
C10H10Cl2N2S (259.99417200000005)
3-CHLORO-6-METHOXYBENZO[B]THIOPHENE-2-CARBONYL CHLORIDE
2-(4-bromophenyl)-2-(hydroxymethyl)propane-1,3-diol
8-Chlorodibenzo[b,f]thiepin-10(11H)-one
C14H9ClOS (260.00626139999997)
3-(3,5-Dichloro-4-methylbenzoyl)propionic acid
C11H10Cl2O3 (260.00069700000006)
4-Bromoacetyl-3-fluorophenylboronic acid
C8H7BBrFO3 (259.96556139999996)
6-Bromo-2-fluoro-3-propoxybenzaldehyde
C10H10BrFO2 (259.98481519999996)
ethyl 3-(3,4-dichlorophenyl)-3-oxopropanoate
C11H10Cl2O3 (260.00069700000006)
Ethyl 5,7-dichloro-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylate
6-(5-Chloro-2-pyridyl)-5H-pyrrolo[3,4-b]pyrazine-5,7(6H)-dione
C11H5ClN4O2 (260.01010199999996)
3-chloro-2-fluoro-5-(trifluoromethyl)benzoyl chloride
2-(2-BROMOIMIDAZO[2,1-B]THIAZOL-6-YL)ACETIC ACID
C7H5BrN2O2S (259.92550900000003)
Methyl 4-(trifluoromethyl)-1-benzothiophene-2-carboxylate
2,3-DIOXO-1,2,3,4-TETRAHYDROQUINOXALINE-6-SULFONYL CHLORIDE
C8H5ClN2O4S (259.96585600000003)
6-Chloro-5-(trifluoromethyl)pyridine-3-sulfonamide
5-Bromo-2-ethoxy-4-methyl-3-nitropyridine
C8H9BrN2O3 (259.97965039999997)
Ethyl 3-(2,4-dichlorophenyl)-3-oxopropanoate
C11H10Cl2O3 (260.00069700000006)
7-TRIFLUOROMETHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
6-TRIFLUOROMETHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
4-AMINO-5-BROMO-6-ETHOXYPICOLINIC ACID
C8H9BrN2O3 (259.97965039999997)
5-(3,4-dichlorophenyl)-5-oxopentanoic acid
C11H10Cl2O3 (260.00069700000006)
4-(5-Bromo-3-fluoro-2-pyridinyl)morpholine
C9H10BrFN2O (259.99604819999996)
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.