Exact Mass: 245.9734474
Exact Mass Matches: 245.9734474
Found 356 metabolites which its exact mass value is equals to given mass value 245.9734474,
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
C6H15O4PS2 (246.01493599999998)
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
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
C6H15O2PS3 (245.99717800000002)
D010575 - Pesticides > D007306 - Insecticides D010575 - Pesticides > D056810 - Acaricides D016573 - Agrochemicals
Diammonium ethylenebis(dithiocarbamate)
C4H14N4S4 (246.01012839999999)
(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
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
1,1,4-trichloro-4-ethyl-1,4-disilacyclohexane
C6H13Cl3Si2 (245.96213480000003)
(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
2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethanohydrazide
C7H11BrN4O (246.01161759999997)
2-BENZOTHIAZOLAMINE, 6-BROMO-4-FLUORO-
C7H4BrFN2S (245.92625759999996)
2,4-Dichloro-6-propylthieno[2,3-d]pyrimidine
C9H8Cl2N2S (245.97852279999998)
Guanoxabenz
C8H8Cl2N4O (246.00751379999997)
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-Bromo-3-nitro-2-pyridinecarboxylic acid
C6H3BrN2O4 (245.92761779999998)
5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOLE-2-THIOL
C9H5F3N2OS (246.00746759999998)
5-(Trifluoromethyl)-1-Benzothiophene-2-Carboxylic Acid
Ethyl 2-bromo-4,4,4-trifluorobut-2-enoate
C6H6BrF3O2 (245.95032319999999)
(3-bromo-2,5-dimethoxyphenyl)methanol
C9H11BrO3 (245.98915159999999)
Bis(2,2,2-trifluoroethyl) Phosphite
C4H5F6O3P (245.98805019999998)
4-CHLORO-2-CHLOROMETHYL-5,6-DIMETHYL-THIENO[2,3-D]PYRIMIDINE
C9H8Cl2N2S (245.97852279999998)
2-Bromo-5-nitro-4-pyridinecarboxylic acid
C6H3BrN2O4 (245.92761779999998)
2-(5-Bromothiophen-2-yl)piperazine
C8H11BrN2S (245.98262659999997)
3,6-Dichloro-1-benzothiophene-2-carboxylic acid
C9H4Cl2O2S (245.93090640000003)
3,4-Dichloro-1-benzothiophene-2-carboxylic acid
C9H4Cl2O2S (245.93090640000003)
1-bromo-4-fluoro-2-methoxy-5-propan-2-ylbenzene
C10H12BrFO (246.00554939999995)
4-Chloro-2-(trifluoromethyl)phenylhydrazine hydrochloride
3,5-DIACETAMIDO-2,4,6-TRIIODOBENZOICACID
C7H4ClF5N2 (245.99831539999997)
(3as)-4-bromo-3a 5a 6a 6b-tetrahydro-2
C9H11BrO3 (245.98915159999999)
[3-Chloro-5-(trifluoromethyl)-2-pyridyl]methylamine hydrochloride
2-[(2,4-DICHLORO-PHENYL)-HYDRAZONO]-PROPIONIC ACID
Alpha-naphthyl acid phosphate monosodium salt
C10H8NaO4P (246.00578979999997)
3-(Trichlorosilyl)propyl acrylate
C6H9Cl3O2Si (245.94373840000003)
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-SULFOPROPYL METHACRYLATE, POTASSIUM SALT
C7H11KO5S (245.99642559999998)
6-Bromo-7-methylimidazo[1,2-a]pyridine hydrochloride
1H-IMIDAZOLE, 2-(4-CHLOROPHENYL)-5-(TRIFLUOROMETHYL)-
C10H6ClF3N2 (246.01715819999998)
1,3-Dimethyluracil-5-trifluoroborate potassium salt
2-(CHLOROMETHYL)-1H-BENZOIMIDAZOLE-5-CARBOXYLIC ACID HYDROCHLORIDE
2-CHLORO-3,5-DIFLUORO-4-(TRIFLUOROMETHYL)PHENYL HYDRAZINE
C7H4ClF5N2 (245.99831539999997)
(4-Bromo-3,5-dimethoxyphenyl)methanol
C9H11BrO3 (245.98915159999999)
1-Naphthalenesulfonicacid, 4-hydroxy-, sodium salt (1:1)
3-Bromo-4-chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine
C6H4BrClN4 (245.93078339999997)
4,5-dimethyl-2-(4-methyl-1,3-dithiol-2-ylidene)-1,3-dithiole
2,4-Dichloro-7-fluoro-6-Methoxy-quinazoline
C9H5Cl2FN2O (245.97629519999998)
2-(4-methoxyphenyl)cyclopropane-1-sulfonyl chloride
7-bromo-2-chloro-5H-pyrrolo[3,2-d]pyrimidine
C9H11BrOS (245.97139359999997)
METHYL2-(2-CHLORO-5-NITROPYRIMIDIN-4-YLAMINO)ACETATE
C7H7ClN4O4 (246.01558119999999)
2-bromo-5-nitropyridine-3-carboxylic acid
C6H3BrN2O4 (245.92761779999998)
4-BROMO-1-METHYL-3-PROPYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-ol
C9H5F3N2OS (246.00746759999998)
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
3,4-DICHLOROPENTAFLUOROBUTYRIC ACID
C4HCl2F5O2 (245.92737660000003)
tert-butyl 4,4,4-trichlorobutanoate
C8H13Cl3O2 (245.99810880000004)
1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]HYDRAZINE HYDROCHLORIDE
1-(5-bromothiophen-2-yl)butane-1,3-dione
C8H7BrO2S (245.93501020000002)
2-Thiazolamine,N-(3,4-dichlorophenyl)-4,5-dihydro-
C9H8Cl2N2S (245.97852279999998)
4-CHLORO-3-(TRIFLUOROMETHYL)PHENYLHYDRAZINEHYDROCHLORIDE
2-BROMO-4-(2-METHOXY-ETHOXY)-PHENOL
C9H11BrO3 (245.98915159999999)
Sodium 2-naphthyl hydrogen phosphate
C10H8NaO4P (246.00578979999997)
3-(2-Methylimidazo[2,1-b]thiazol-6-yl)propanoic acid hydrochloride
1-BROMO-4-(TERT-BUTYL)-2-CHLOROBENZENE
C10H12BrCl (245.98108419999997)
6-bromo-4-nitropyridine-2-carboxylic acid
C6H3BrN2O4 (245.92761779999998)
3-(3,6-Dichloro-2-pyridinyl)-1,2,4-thiadiazol-5-amine
Ethyl 4-Chloro-6-methyl-2-(methylthio)pyrimidine-5-carboxylate
4-Bromo-6-fluorobenzo[d]thiazol-2-amine
C7H4BrFN2S (245.92625759999996)
6-Quinazoline carboxylicacid, 2,4-dichloro-5,6,7,8-tetrahydro
2-Bromo-5-fluoro-4-thiocyanatoaniline
C7H4BrFN2S (245.92625759999996)
3-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
C10H6ClF3N2 (246.01715819999998)
4-Bromo-2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine
3-(5-BROMO-THIOPHEN-2-YL)-ACRYLICACIDMETHYLESTER
C8H7BrO2S (245.93501020000002)
5-Bromo-2-(isobutylthio)pyrimidine
C8H11BrN2S (245.98262659999997)
5-Chloro-1-phenyl-3-(trifluoromethyl)-1H-pyrazole
C10H6ClF3N2 (246.01715819999998)
5-BROMO-4-CHLORO-1H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE
C6H4BrClN4 (245.93078339999997)
5-[3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazole-2-thione
C9H5F3N2OS (246.00746759999998)
2-bromo-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole
C8H11BrN2S (245.98262659999997)
(E)-2-Bromo-4,4,4-trifluoro-2-butenoic acid ethyl ester
C6H6BrF3O2 (245.95032319999999)
5-Pyrimidinecarboxylicacid, 4-chloro-2-(ethylthio)-, ethyl ester
(5-Bromo-2,3-dimethoxyphenyl)methanol
C9H11BrO3 (245.98915159999999)
ACETYLCYCLOPENTADIENYLMANGANESE(I) TRIC&
C10H7MnO4 (245.97247819999998)
(2-BROMO-4,5-DIMETHOXYPHENYL)METHANOL
C9H11BrO3 (245.98915159999999)
3-fluoro-4-isothiocyanato-2-(trifluoromethyl)benzonitrile
C9H2F4N2S (245.98748199999997)
(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
2,6-BIS(CHLOROMETHYL)-4-TOLYL ACETATE
C11H12Cl2O2 (246.02143120000002)
3-(4-BROMO-PYRAZOL-1-YL)-2-METHYL-PROPIONIC ACID METHYL ESTER
4-Chloro-2-(1-piperidin-4-ol)-thiazole-5-carboxaldehyde
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
5-Chloro-5-deoxyribose 1-phosphate
C5H8ClO7P-2 (245.96961779999998)
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
C6H15O2PS3 (245.99717800000002)
D010575 - Pesticides > D007306 - Insecticides D010575 - Pesticides > D056810 - Acaricides D016573 - Agrochemicals
OXYDEMETON-METHYL
C6H15O4PS2 (246.01493599999998)
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.
2,3,5-tris(methylsulfanyl)cyclohexa-2,5-diene-1,4-dione
C9H10O2S3 (245.98429200000004)