Exact Mass: 245.9972
Exact Mass Matches: 245.9972
Found 458 metabolites which its exact mass value is equals to given mass value 245.9972,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Dimethylallylpyrophosphate
Prenyl diphosphate is a prenol phosphate that is a phosphoantigen comprising the O-pyrophosphate of prenol. It has a role as an epitope, a phosphoantigen, an Escherichia coli metabolite and a mouse metabolite. It is a conjugate acid of a prenyl diphosphate(3-). Dimethylallylpyrophosphate is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Dimethylallyl diphosphate is a natural product found in Centaurium erythraea, Streptomyces albidoflavus, and other organisms with data available. Dimethylallylpyrophosphate is a metabolite found in or produced by Saccharomyces cerevisiae. Dimethylallylpyrophosphate, also known as 2-isopentenyl diphosphate or delta-prenyl diphosphoric acid, belongs to the class of organic compounds known as isoprenoid phosphates. These are prenol lipids containing a phosphate group linked to an isoprene (2-methylbuta-1,3-diene) unit. Dimethylallylpyrophosphate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Dimethylallyl pyrophosphate (or -diphosphate) (DMAPP) is an intermediate product of both mevalonic acid (MVA) pathway and DOXP/MEP pathway. It is an isomer of isopentenyl pyrophosphate (IPP) and exists in virtually all life forms. A prenol phosphate that is a phosphoantigen comprising the O-pyrophosphate of prenol.
Isopentenyl pyrophosphate
Isopentenyl pyrophosphate, also known as delta3-isopentenyl diphosphate or ipp, is a member of the class of compounds known as isoprenoid phosphates. Isoprenoid phosphates are prenol lipids containing a phosphate group linked to an isoprene (2-methylbuta-1,3-diene) unit. Thus, isopentenyl pyrophosphate is considered to be an isoprenoid lipid molecule. Isopentenyl pyrophosphate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Isopentenyl pyrophosphate can be found in a number of food items such as american butterfish, conch, tea leaf willow, and butternut, which makes isopentenyl pyrophosphate a potential biomarker for the consumption of these food products. Isopentenyl pyrophosphate can be found primarily in human spleen tissue. Isopentenyl pyrophosphate exists in all living species, ranging from bacteria to humans. In humans, isopentenyl pyrophosphate is involved in several metabolic pathways, some of which include ibandronate action pathway, lovastatin action pathway, fluvastatin action pathway, and pravastatin action pathway. Isopentenyl pyrophosphate is also involved in several metabolic disorders, some of which include hypercholesterolemia, hyper-igd syndrome, lysosomal acid lipase deficiency (wolman disease), and wolman disease. Isopentenyl pyrophosphate (IPP, isopentenyl diphosphate, or IDP) is an isoprenoid precursor. IPP is an intermediate in the classical, HMG-CoA reductase pathway (commonly called the mevalonate pathway) and in the non-mevalonate MEP pathway of isoprenoid precursor biosynthesis. Isoprenoid precursors such as IPP, and its isomer DMAPP, are used by organisms in the biosynthesis of terpenes and terpenoids . Isopentenyl pyrophosphate, IPP or isopentenyl diphosphate, is an intermediate in the HMG-CoA reductase pathway used by organisms in the biosynthesis of terpenes and terpenoids. IPP is formed from Mevalonate-5-pyrophosphate, in a reaction catalyzed by the enzyme mevalonate-5-pyrophosphate decarboxylase. (wikipedia).
Oxydemeton-methyl
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
Fonofos
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 3112
Busulfan
An alkylating agent having a selective immunosuppressive effect on bone marrow. It has been used in the palliative treatment of chronic myeloid leukemia (myeloid leukemia, chronic), but although symptomatic relief is provided, no permanent remission is brought about. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), busulfan is listed as a known carcinogen. [PubChem] L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AB - Alkyl sulfonates C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents > D019653 - Myeloablative Agonists D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D000477 - Alkylating Agents
Ekatin
D010575 - Pesticides > D007306 - Insecticides D010575 - Pesticides > D056810 - Acaricides D016573 - Agrochemicals
(2R,3S,4R)-2,3,4-trihydroxy-5-phosphonooxypentanoic acid
5-Sulfo-1,3-benzenedicarboxylic acid
5-Sulfo-1,3-benzenedicarboxylic acid is a fda approved for use in food-contact polyester resins. FDA approved for use in food-contact polyester resins
3-(3-hydroxyphenyl)propionate sulfate
3-[3-(sulfooxy)phenyl]propanoic acid, also known as 3-(3-Hydroxyphenyl)propanoate sulfate or Mhppa sulfate, is classified as a member of the phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. 3-[3-(sulfooxy)phenyl]propanoic acid is considered to be a slightly soluble (in water) and an extremely strong acidic compound. 3-[3-(sulfooxy)phenyl]propanoic acid can be found in feces.
3-[4-(sulfooxy)phenyl]propanoic acid
3-[4-(sulfooxy)phenyl]propanoic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3-(4-hydroxyphenyl)propanoic acid. It is generated by Sulfotransferase 1A3 (P0DMM9) and Sulfotransferase enzymes via a -4-O-sulfation-of-phenolic-compound reaction. This -4-O-sulfation-of-phenolic-compound occurs in humans.
2-Methylbut-3-en-2-yl phosphono hydrogen phosphate
Arctinone
Arctinone b is a member of the class of compounds known as bi- and oligothiophenes. Bi- and oligothiophenes are organic compounds containing two or more linked thiophene rings. Thiophene is a five-member aromatic ring with one sulfur and four carbon atoms. Arctinone b is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Arctinone b can be found in burdock, which makes arctinone b a potential biomarker for the consumption of this food product.
Magnesium sulfate heptahydrate
It is used in foods as a flavour enhancer, nutrient supplement and processing aid
(2R,4R,6S)-6-Bromo-1,4-epoxy-3(8)-ochtoden-2-ol
(4R,6S,8S)-6-Bromo-1,4-epoxy-2-ochtoden-8-ol
(2S,4R,6S)-6-Bromo-1,4-epoxy-3(8)-ochtoden-2-ol
2,7,9-trimethyl-4H-pyrido[3,2:4,5]thieno[3,2-d][1,3]oxazin-4-one
1-[5-(1-propyn-1-yl)-[2,2-bithiophen]-5-yl]-ethanone|5-Acetyl-5?脣-(1-propynyl)-2,2?脣-bithiophene|arctinone b|arctinone-b
(1R,5S)-2-Cyclopenten-1-carbonsaeure-2-trans-allyl-3-chlor-1,5-dihydroxy-4-oxo-methylester|Me ester-(1R, 5S)-(E)-3-Chloro-1, 5-dihydroxy-4-oxo-2-(1-propenyl)-2-cyclopentene-1-carboxylic acid, 9CI
(5-but-3-en-1-ynyl-[2,2]bithiophenyl-5-yl)-methanol
3-(6-Hydroxy-1,3-hexadiynyl)-6-(1-propynyl)-1,2-dethiin
2,3-Dihydro-5-[[5-(1-propynyl)-2-thienyl]ethynyl]thiophen-3-ol|2--5-<4-hydroxy-4,5-dihydro-thienyl-(2)-aethinyl>-thiophen|5-(5-prop-1-ynyl-thiophen-2-ylethynyl)-2,3-dihydro-thiophen-3-ol
(+)-(4S,5R,6R)-4-acetoxy-2-bromo-5,6-epoxycyclohex-2-enone|(4S,5R,6R)-4-acetoxy-2-bromo-5,6-epoxycyclohex-2-enone|[4S,5R,6R]-4-Acetoxy-2-bromo-5,6-epoxy-2-cyclohexenone
busulfan
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AB - Alkyl sulfonates C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents > D019653 - Myeloablative Agonists D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D000477 - Alkylating Agents
3-Hydroxymethyl-7-chloro-1,2,4-benzothiadiazine-1,1-dioxide
(5-(but-3-en-1-yn-1-yl)-[2,2-bithiophen]-5-yl)methanol
4-(3-METHYL-1-BENZOTHIEN-2-YL)-1,3-THIAZOL-2-AMINE
2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethanohydrazide
3-CHLORO-4-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
5-[(1E)-2-(4-Chlorophenyl)ethenyl]-1,3-benzenediol
Guanoxabenz
C - Cardiovascular system > C02 - Antihypertensives > C02C - Antiadrenergic agents, peripherally acting > C02CC - Guanidine derivatives C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOLE-2-THIOL
5-(Trifluoromethyl)-1-Benzothiophene-2-Carboxylic Acid
4-chloro-2-methyl- [1,1-Biphenyl]-3-carboxylic acid
3-CHLORO-4-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
4-FLUORO-3-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
4-CHLORO-2-CHLOROMETHYL-5,6-DIMETHYL-THIENO[2,3-D]PYRIMIDINE
4-CHLORO-2-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
3-CHLORO-2-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
4-CHLORO-2-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
4-Chloro-2-(trifluoromethyl)phenylhydrazine hydrochloride
[3-Chloro-5-(trifluoromethyl)-2-pyridyl]methylamine hydrochloride
7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine
2-[(2,4-DICHLORO-PHENYL)-HYDRAZONO]-PROPIONIC ACID
Ethyl 2-(4-chloro-2-methylsulfanylpyrimidin-5-yl)acetate
4-OXO-4H-BENZO[D]PYRIMIDO[2,1-B][1,3]THIAZOLE-3-CARBOXYLIC ACID
3-(2-BROMOACETYL)-4-HYDROXY-6-METHYL-2H-PYRAN-2-ONE
3-CHLORO-3-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
2-amino-4-(methoxycarbonylamino)benzenesulfonic acid
3-(Acetylamino)-5-amino-4-hydroxybenzenesulfonic acid
((4-(DIMETHYLAMINO)PHENYL)METHYLENE)METHANE-1,1-DICARBONITRILE
6-Bromo-7-methylimidazo[1,2-a]pyridine hydrochloride
1H-IMIDAZOLE, 2-(4-CHLOROPHENYL)-5-(TRIFLUOROMETHYL)-
ETHYL 4-HYDROXY-2-(METHYLSULFONYL)PYRIMIDINE-5-CARBOXYLATE
1,3-Dimethyluracil-5-trifluoroborate potassium salt
2-(CHLOROMETHYL)-1H-BENZOIMIDAZOLE-5-CARBOXYLIC ACID HYDROCHLORIDE
2-CHLORO-3,5-DIFLUORO-4-(TRIFLUOROMETHYL)PHENYL HYDRAZINE
1-Naphthalenesulfonicacid, 4-hydroxy-, sodium salt (1:1)
4,5-dimethyl-2-(4-methyl-1,3-dithiol-2-ylidene)-1,3-dithiole
2-(4-methoxyphenyl)cyclopropane-1-sulfonyl chloride
2-[2-Fluoro-4-(methylsulfonyl)phenyl]-1,3-dioxolane
METHYL2-(2-CHLORO-5-NITROPYRIMIDIN-4-YLAMINO)ACETATE
4-BROMO-1-METHYL-3-PROPYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
2-[4-Fluoro-3-(methylsulfonyl)phenyl]-1,3-dioxolane
7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
6-(TRIFLUOROMETHYL)BENZO[B]THIOPHENE-2-CARBOXYLIC ACID
8-Bromo-6-methylimidazo[1,2-a]pyridine hydrochloride
8-BROMO-5-METHYLIMIDAZO[1,2-A]PYRIDINE HYDROCHLORIDE
1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]HYDRAZINE HYDROCHLORIDE
5-CHLORO-3-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
2-Thiazolamine,N-(3,4-dichlorophenyl)-4,5-dihydro-
4-CHLORO-3-(TRIFLUOROMETHYL)PHENYLHYDRAZINEHYDROCHLORIDE
5-(1,1-DIOXIDOTETRAHYDROTHIEN-3-YL)PYRIMIDINE-2,4,6(1H,3H,5H)-TRIONE
2-[(2-methylphenylthio)(methylthio)methylene]-malononitrile
3-(2-Methylimidazo[2,1-b]thiazol-6-yl)propanoic acid hydrochloride
3-(3,6-Dichloro-2-pyridinyl)-1,2,4-thiadiazol-5-amine
trans-3-bromo-1-propen-1-ylboronic acid pinacol ester
Ethyl 4-Chloro-6-methyl-2-(methylthio)pyrimidine-5-carboxylate
6-Quinazoline carboxylicacid, 2,4-dichloro-5,6,7,8-tetrahydro
3-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
(4-Chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)(1H-imidazol-1-yl)methano ne
4-Bromo-2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine
5-[3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazole-2-thione
(E)-2-Bromo-4,4,4-trifluoro-2-butenoic acid ethyl ester
4-amino-2-(4-chlorophenoxy)pyrimidine-5-carbonitrile
6H-Dibenz(c,e)(1,2)oxaphosphorin-6-methanol 6-oxide
ethyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
5-Pyrimidinecarboxylicacid, 4-chloro-2-(ethylthio)-, ethyl ester
METHYL 2-AMINO-8H-INDENO[1,2-D]THIAZOLE-5-CARBOXYLATE
6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine
3-fluoro-4-isothiocyanato-2-(trifluoromethyl)benzonitrile
(2-Chloro-4-(trifluoromethyl)phenyl)hydrazine hydrochloride
2-Aminomethyl-3-chloro-5-(trifluoromethyl)pyridine hydrochloride
METHYL 4-BROMO-1-ETHYL-3-METHYL-1H-PYRAZOLE-5-CARBOXYLATE
4-chloro-6-fluoro-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine
Benzaldehyde,4-(2,3-dihydrothieno[3,4-b]-1,4-dioxin-5-yl)-
3-(4-BROMO-PYRAZOL-1-YL)-2-METHYL-PROPIONIC ACID METHYL ESTER
4-Chloro-2-(1-piperidin-4-ol)-thiazole-5-carboxaldehyde
6-(4-FLUOROPHENYL)IMIDAZO[2,1-B]THIAZOLE-5-CARBALDEHYDE
3-(3-sulfooxyphenyl)propanoic Acid
A monocarboxylic acid that is propionic acid carrying a 3-sulfooxyphenyl substituent at C-3.
ethyl 4-bromo-1,5-dimethyl-1H-pyrazole-3-carboxylate
2-[(4-fluorophenyl)sulfonylamino]-N-oxo-ethanamide
3-((2-Chlorothiazol-5-yl)methyl)-5-methyl-1,3,5-oxadiazinan-4-imine
alpha-oxo-1-carboxy-4-tetrahydrothiopyranpropanoate S-oxide
4-(2-Carboxy-2-oxoethyl)-1-oxo-2,3-dihydrothiopyran-4-carboxylic acid
[1-(2-Hydroxyphenyl)-3-oxopropan-2-yl] hydrogen sulate
[2-hydroxy-3-[(E)-3-hydroxyprop-1-enyl]phenyl] hydrogen sulfate
[3-(2-Hydroxyphenyl)oxiran-2-yl]methyl hydrogen sulate
[(E)-3-(2,5-dihydroxyphenyl)prop-2-enyl] hydrogen sulfate
THIOMETON
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OXYDEMETON-METHYL
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
3-[4-(sulfooxy)phenyl]propanoic acid
An aryl sulfate that is phenyl hydrogen sulfate substituted by a 2-carboxyethyl group at position 4. It is a human xenobiotic metabolite found in human plasma and urine after thyme consumption.
Isopentenyl diphosphate
A prenol phosphate comprising 3-methylbut-3-en-1-ol having an O-diphosphate substituent.
4-(acetylamino)-3-hydroxyphenyl sulfate
A phenyl sulfate oxoanion that is the conjugate base of 4-(acetylamino)-3-hydroxyphenyl hydrogen sulfate, obtained by deprotonation of the sulfate group; major species at pH 7.3.
