Exact Mass: 413.94556780000005
Exact Mass Matches: 413.94556780000005
Found 74 metabolites which its exact mass value is equals to given mass value 413.94556780000005,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
miconazole
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07A - Intestinal antiinfectives > A07AC - Imidazole derivatives A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives J - Antiinfectives for systemic use > J02 - Antimycotics for systemic use > J02A - Antimycotics for systemic use > J02AB - Imidazole derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065688 - Cytochrome P-450 CYP2C9 Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065692 - Cytochrome P-450 CYP3A Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058888 - 14-alpha Demethylase Inhibitors S - Sensory organs > S02 - Otologicals > S02A - Antiinfectives > S02AA - Antiinfectives D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent CONFIDENCE standard compound; INTERNAL_ID 2706 CONFIDENCE standard compound; INTERNAL_ID 8602
Miconazole
Miconazole is only found in individuals that have used or taken this drug. It is an imidazole antifungal agent that is used topically and by intravenous infusion. [PubChem]Miconazole interacts with 14-α demethylase, a cytochrome P-450 enzyme necessary to convert lanosterol to ergosterol. As ergosterol is an essential component of the fungal cell membrane, inhibition of its synthesis results in increased cellular permeability causing leakage of cellular contents. Miconazole may also inhibit endogenous respiration, interact with membrane phospholipids, inhibit the transformation of yeasts to mycelial forms, inhibit purine uptake, and impair triglyceride and/or phospholipid biosynthesis. G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07A - Intestinal antiinfectives > A07AC - Imidazole derivatives A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives J - Antiinfectives for systemic use > J02 - Antimycotics for systemic use > J02A - Antimycotics for systemic use > J02AB - Imidazole derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065688 - Cytochrome P-450 CYP2C9 Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065692 - Cytochrome P-450 CYP3A Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058888 - 14-alpha Demethylase Inhibitors S - Sensory organs > S02 - Otologicals > S02A - Antiinfectives > S02AA - Antiinfectives D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
Haloxon
C14H14Cl3O6P (413.95935640000005)
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
Isoconazole
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
D-myo-inositol (1,2,3) trisphosphate
C6H9O15P3 (413.91543540000004)
D-myo-inositol (1,2,3) trisphosphate is soluble (in water) and an extremely strong acidic compound (based on its pKa). D-myo-inositol (1,2,3) trisphosphate can be found in a number of food items such as green zucchini, oxheart cabbage, mixed nuts, and purslane, which makes D-myo-inositol (1,2,3) trisphosphate a potential biomarker for the consumption of these food products.
D-myo-inositol (1,2,6) trisphosphate
C6H9O15P3 (413.91543540000004)
D-myo-inositol (1,2,6) trisphosphate is soluble (in water) and an extremely strong acidic compound (based on its pKa). D-myo-inositol (1,2,6) trisphosphate can be found in a number of food items such as biscuit, angelica, rice, and sapodilla, which makes D-myo-inositol (1,2,6) trisphosphate a potential biomarker for the consumption of these food products.
D-myo-inositol (1,3,4)-trisphosphate
C6H9O15P3 (413.91543540000004)
D-myo-inositol (1,3,4)-trisphosphate, also known as ins(1,3,4)p3 or inositol 1,3,4-trisphosphoric acid, is a member of the class of compounds known as inositol phosphates. Inositol phosphates are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety. D-myo-inositol (1,3,4)-trisphosphate is soluble (in water) and an extremely strong acidic compound (based on its pKa). D-myo-inositol (1,3,4)-trisphosphate can be found in a number of food items such as vanilla, hyacinth bean, japanese pumpkin, and green bean, which makes D-myo-inositol (1,3,4)-trisphosphate a potential biomarker for the consumption of these food products.
D-myo-inositol (1,4,5)-trisphosphate
C6H9O15P3 (413.91543540000004)
D-myo-inositol (1,4,5)-trisphosphate is a member of the class of compounds known as inositol phosphates. Inositol phosphates are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety. D-myo-inositol (1,4,5)-trisphosphate is soluble (in water) and an extremely strong acidic compound (based on its pKa). D-myo-inositol (1,4,5)-trisphosphate can be found in a number of food items such as ginkgo nuts, linden, swamp cabbage, and eggplant, which makes D-myo-inositol (1,4,5)-trisphosphate a potential biomarker for the consumption of these food products.
D-myo-inositol (2,3,4) trisphosphate
C6H9O15P3 (413.91543540000004)
D-myo-inositol (2,3,4) trisphosphate is soluble (in water) and an extremely strong acidic compound (based on its pKa). D-myo-inositol (2,3,4) trisphosphate can be found in a number of food items such as moth bean, lupine, oyster mushroom, and brazil nut, which makes D-myo-inositol (2,3,4) trisphosphate a potential biomarker for the consumption of these food products.
isoPFOA
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5mPFOA
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4mPFOA
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3mPFOA
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55m2PFOA
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(1R,5Z)-3-(1-acetoxybutyl)-4-bromo-5-(iodomethylidene)-2(5H)-furanone
2-Phenyl-3-(2,3-dibromo-4,5-dihydroxyphenyl)propanoic acid
Perfluorooctanoic acid
Perfluorooctanoic acid is a fluoroalkanoic acid that is perfluorinated octanoic acid. It has a role as an environmental contaminant, a xenobiotic, a carcinogenic agent, a surfactant and an endocrine disruptor. It is functionally related to a perfluorooctane and an octanoic acid. Perfluorooctanoic Acid (PFOA) can cause cancer according to The National Toxicology Program. It can cause developmental toxicity according to The Environmental Protection Agency (EPA). Perfluorooctanoic acid (PFOA), also known as C8 and perfluorooctanoate, is a synthetic, stable perfluorinated carboxylic acid and fluorosurfactant. One industrial application is as a surfactant in the emulsion polymerization of fluoropolymers. It has been used in the manufacture of such prominent consumer goods as Teflon and Gore-Tex. PFOA has been manufactured since the 1940s in industrial quantities. It is also formed by the degradation of precursors such as some fluorotelomers. PFOA persists indefinitely in the environment. It is a toxicant and carcinogen in animals. PFOA has been detected in the blood of more than 98\% of the general US population in the low and sub-parts per billion range, and levels are higher in chemical plant employees and surrounding subpopulations. Exposure has been associated with increased cholesterol and uric acid levels, and recently higher serum levels of PFOA were found to be associated with increased risk of chronic kidney disease in the general United States population, consistent with earlier animal studies. This association was independent of confounders such as age, sex, race/ethnicity, body mass index, diabetes, hypertension, and serum cholesterol level. .
nPFOA
Disclaimer: While authors make an effort to ensure that the content of this record is accurate, the authors make no representations or warranties in relation to the accuracy or completeness of the record. This record do not reflect any viewpoints of the affiliation and organization to which the authors belong.
44m2PFOA
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1-(benzenesulfonyl)-3-iodo-5-methoxypyrrolo[2,3-b]pyridine
C14H11IN2O3S (413.95351260000007)
(3S)-3-[4-[(2-Chloro-5-iodophenyl)methyl]phenoxy]tetrahydro-furan
2,2,3,3,4,4,5,5,6,7,7,7-Dodecafluoro-6-(trifluoromethyl)heptanoic acid
2,2,3,3,4,4,6,6,6-Nonafluoro-5,5-bis(trifluoromethyl)hexanoic acid
2,2,3,3,4,4,5,6,6,7,7,7-Dodecafluoro-5-(trifluoromethyl)heptanoic acid
2,2,3,4,4,5,5,6,6,7,7,7-Dodecafluoro-3-(trifluoromethyl)heptanoic acid
2,2,3,3,4,5,5,6,6,7,7,7-Dodecafluoro-4-(trifluoromethyl)heptanoic acid
2,2,3,3,5,5,6,6,6-Nonafluoro-4,4-bis(trifluoromethyl)hexanoic acid
Isoconazole
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
D-myo-inositol (1,2,3) trisphosphate
C6H9O15P3-6 (413.91543540000004)
D-myo-inositol (1,2,6) trisphosphate
C6H9O15P3-6 (413.91543540000004)
1D-myo-inositol 1,3,4-trisphosphate(6-)
C6H9O15P3-6 (413.91543540000004)
D-myo-inositol (1,4,5)-trisphosphate
C6H9O15P3-6 (413.91543540000004)
(2,3,4-Trihydroxy-5,6-diphosphonatooxycyclohexyl) phosphate
C6H9O15P3-6 (413.91543540000004)
1D-myo-inositol 1,4,5-trisphosphate(6-)
C6H9O15P3-6 (413.91543540000004)
D-myo-inositol (3,4,6)-trisphosphate
C6H9O15P3-6 (413.91543540000004)
1D-myo-inositol 2,4,5-triphosphate
C6H9O15P3-6 (413.91543540000004)
D-myo-inositol (2,3,4) trisphosphate
C6H9O15P3-6 (413.91543540000004)
Myo-inositol (3,5,6)-trisphosphate
C6H9O15P3-6 (413.91543540000004)
4-Bromo-2-[3-(2-fluorophenyl)acryloyl]phenyl 2-furoate
5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methyl-2-thiophenesulfonamide
C15H15BrN2O3S2 (413.97074200000003)
[2,6-Dihydroxy-3-(3,5,6,7-tetrahydroxy-4-oxochromen-2-yl)phenyl] hydrogen sulate
C15H10O12S (413.9892980000001)
1D-myo-inositol 1,3,4-trisphosphate(6-)
C6H9O15P3 (413.91543540000004)
The hexaanion of 1D-myo-inositol 1,3,4-trisphosphate.
1D-myo-inositol 1,4,5-trisphosphate(6-)
C6H9O15P3 (413.91543540000004)
Hexaanion of 1D-myo-inositol 1,4,5-trisphosphate arising from glabal deprotonation of the phosphate OH groups; major species at pH 7.3.
(1r)-1-[(5z)-4-bromo-5-(iodomethylidene)-2-oxofuran-3-yl]butyl acetate
methyl (7e,9e,13e,15z)-14,16-dibromohexadeca-7,9,13,15-tetraen-5-ynoate
C17H20Br2O2 (413.98299399999996)
methyl (2r)-6,8-dichloro-5-hydroxy-2'-methoxy-7-methyl-4,4'-dioxospiro[1,3-benzodioxine-2,1'-cyclohexane]-2',5'-diene-6'-carboxylate
methyl (2s)-5,7-dichloro-3',6-dihydroxy-2'-methoxy-4-methyl-3,4'-dioxospiro[1-benzofuran-2,1'-cyclohexane]-2',5'-diene-6'-carboxylate
(2r)-3-(2,3-dibromo-4,5-dihydroxyphenyl)-2-phenylpropanoic acid
methyl 14,16-dibromohexadeca-7,9,13,15-tetraen-5-ynoate
C17H20Br2O2 (413.98299399999996)
3-(2,3-dibromo-4,5-dihydroxyphenyl)-2-phenylpropanoic acid
1-[4-bromo-5-(iodomethylidene)-2-oxofuran-3-yl]butyl acetate
methyl 6,8-dichloro-5-hydroxy-2'-methoxy-7-methyl-4,4'-dioxospiro[1,3-benzodioxine-2,1'-cyclohexane]-2',5'-diene-6'-carboxylate
5,7-dibromo-1-methyl-3a-(3-methylbut-2-en-1-yl)-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-4-ol
C16H20Br2N2O (413.99422699999997)
(3as,8as)-5,7-dibromo-1-methyl-3a-(3-methylbut-2-en-1-yl)-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-4-ol
C16H20Br2N2O (413.99422699999997)