Exact Mass: 530.1228446
Exact Mass Matches: 530.1228446
Found 132 metabolites which its exact mass value is equals to given mass value 530.1228446,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
ketoconazole
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02C - Antiadrenal preparations > H02CA - Anticorticosteroids 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 > D065692 - Cytochrome P-450 CYP3A Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058888 - 14-alpha Demethylase Inhibitors D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist C254 - Anti-Infective Agent CONFIDENCE standard compound; INTERNAL_ID 373; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8051; ORIGINAL_PRECURSOR_SCAN_NO 8049 CONFIDENCE standard compound; INTERNAL_ID 373; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8073; ORIGINAL_PRECURSOR_SCAN_NO 8071 CONFIDENCE standard compound; INTERNAL_ID 373; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8091; ORIGINAL_PRECURSOR_SCAN_NO 8089 CONFIDENCE standard compound; INTERNAL_ID 373; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8102; ORIGINAL_PRECURSOR_SCAN_NO 8100 CONFIDENCE standard compound; INTERNAL_ID 373; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8082; ORIGINAL_PRECURSOR_SCAN_NO 8077 CONFIDENCE standard compound; INTERNAL_ID 373; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8103; ORIGINAL_PRECURSOR_SCAN_NO 8101 CONFIDENCE standard compound; INTERNAL_ID 2697 CONFIDENCE Parent Substance (Level 1); INTERNAL_ID 2600 CONFIDENCE standard compound; INTERNAL_ID 8574 CONFIDENCE standard compound; INTERNAL_ID 4100 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3262 Ketoconazole (R-41400) is an imidazole anti-fungal agent, a CYP3A4 and CYP24A1 inhibitor.
Ketoconazole
Ketoconazole is only found in individuals that have used or taken this drug. It is a broad spectrum antifungal agent used for long periods at high doses, especially in immunosuppressed patients. [PubChem]Ketoconazole interacts with 14-α demethylase, a cytochrome P-450 enzyme necessary for the conversion of lanosterol to ergosterol. This results in inhibition of ergosterol synthesis and increased fungal cellular permeability. Other mechanisms may involve the inhibition of endogenous respiration, interaction with membrane phospholipids, inhibition of yeast transformation to mycelial forms, inhibition of purine uptake, and impairment of triglyceride and/or phospholipid biosynthesis. Ketoconazole can also inhibit the synthesis of thromboxane and sterols such as aldosterone, cortisol, and testosterone. Ketoconazole (pronounced /ˌkiːtoʊˈkoʊnəzoʊl/) is a synthetic antifungal drug used to prevent and treat skin and fungal infections, especially in immunocompromised patients such as those with AIDS. Ketoconazole is sold commercially as an anti-dandruff shampoo. Ketoconazole is very lipophilic, which leads to accumulation in fatty tissues. The less toxic and more effective triazole compounds fluconazole and itraconazole have largely replaced ketoconazole for internal use. Ketoconazole is best absorbed at highly acidic levels, so antacids or other causes of decreased stomach acid levels will lower the drugs absorption when taken orally. -Wikipedia [HMDB] G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02C - Antiadrenal preparations > H02CA - Anticorticosteroids 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 > D065692 - Cytochrome P-450 CYP3A Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058888 - 14-alpha Demethylase Inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist C254 - Anti-Infective Agent Ketoconazole (R-41400) is an imidazole anti-fungal agent, a CYP3A4 and CYP24A1 inhibitor.
3-Caffeoyl-4-feruloylquinic acid
3-Caffeoyl-4-feruloylquinic acid is found in citrus. 3-Caffeoyl-4-feruloylquinic acid is a constituent of the peel Citrus reticulata (mandarin). Constituent of the peel Citrus reticulata (mandarin). 3-Caffeoyl-4-feruloylquinic acid is found in citrus.
4-O-Caffeoyl-3-O-feruloylquinic acid
4-O-Caffeoyl-3-O-feruloylquinic acid is found in coffee and coffee products. 4-O-Caffeoyl-3-O-feruloylquinic acid is a constituent of coffee beans. Constituent of coffee beans. 3-Feruloyl-4-caffeoylquinic acid is found in coffee and coffee products.
Formononetin 7-(6'-methylmalonylglucoside)
Formononetin 7-(6-methylmalonylglucoside) is found in herbs and spices. Formononetin 7-(6-methylmalonylglucoside) is isolated from leaves of Trifolium pratense (red clover
1-Caffeoyl-5-feruloylquinic acid
1-Caffeoyl-5-feruloylquinic acid is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
1-Feruloyl-5-caffeoylquinic acid
1-Feruloyl-5-caffeoylquinic acid is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
(2S,4S)-Ketoconazole
Macranthoin G
A methyl ester resulting from the formal condensation of the carboxy group of 3,5-di-O-caffeoyl quinic acid with methanol. Isolated from Suaeda glauca and Dichrocephala bicolor, it exhibits hepatoprotective activity.
Luteolin 7-glucoside-4-(Z-2-methyl-2-butenoate)
3-[bis(3,4-methylenedioxyphenyl)methyl]-4-(beta-D-glucopyranosyloxy-methyl)-2(5H)-furanone|juspurpurin
5,2,6-trihydroxy-7-methoxyflavone-2-O-(6-O-trans-crotonyl-beta-D-glucopyranoside)
matsudone A
A glycosyloxyflavone that is 5,3,4-trihydroxyflavone substituted by a beta-D-glucopyranosyloxy group at position 3 and a 2,2-dimethylpyrano ring fused across positions 7 and 8. Isolated from the leaves of Salix matsudana, it acts as a cyclooxygenase 2 inhibitor.
6-O-malonyl-3-O-beta-D-glucopyranosyl-6,6a-dehydromaackiain
3,4-Di-O-caffeoylquinic acid methyl ester
methyl (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate is a natural product found in Vitex quinata, Petasites japonicus, and other organisms with data available.
Ustilaginoidin B
A binaphthopyran resulting from the formal oxidative coupling at positions 9 of molecules of 5,6,8-trihydroxy-2-methyl-4H-benzo[g]chromen-4-one and 5,6,8-trihydroxy-2-(hydroxymethyl)-4H-benzo[g]chromen-4-one.
(2S,3R,4R)-3,4?,7-trihydroxyflavon-(4beta?8)-epicatechin
quercetin-3-O-(2-O-tigloyl)-alpha-L-rhamnopyranoside
quercetin-3-O-(3-O-tigloyl)-alpha-L-rhamnopyranoside
5-hydroxy-6-methoxy-2-methylchromone-7-O-rutinoside
A disaccharide derivative that consists of 5,7-dihydroxy-6-methoxy-2-methylchromone substituted by a rutinosyl group at position 7 via a glycosidic linkage. Isolated from Crossosoma bigelovii, it exhibits antineoplastic activity.
(8R,15S)-15-acetoxy-4,11,14-trihydroxy-6,9-dimethyl-3,7-dioxo-7,8-dihydro-3H-8r,14bc-methano-naphtho[1,2:6,7]cyclohepta[de]isochromene-12,13-dicarboxylic acid anhydride|(8S,16S)-16-acetoxy-4,11,15-trihydroxy-6,9-dimethyl-8H-8r,15bc-methano-benzo[de]cyclohepta[1,2-g;3,4,5-de]diisochromene-3,7,12,14-tetraone|Xenoclauxin
5,3-dihydroxy-4-O-angeloxyflavone-7-O-beta-D-glucopyranoside|5,3-dihydroxy-4-O-angeloylflavone-7-O-beta-D-glucopyranoside|luteolin-7-O-beta-D-glucopyranoside
Thermopsoside, crotonoyl
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.154 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.155 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.150
(1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
Cys Asp Met Tyr
Cys Asp Tyr Met
Cys Phe Met Met
Cys Met Asp Tyr
Cys Met Phe Met
Cys Met Met Phe
Cys Met Tyr Asp
Cys Tyr Asp Met
Cys Tyr Met Asp
Asp Cys Met Tyr
Asp Cys Tyr Met
Asp Met Cys Tyr
Asp Met Tyr Cys
Asp Tyr Cys Met
Asp Tyr Met Cys
Phe Cys Met Met
Phe Met Cys Met
Phe Met Met Cys
Met Cys Asp Tyr
Met Cys Phe Met
Met Cys Met Phe
Met Cys Tyr Asp
Met Asp Cys Tyr
Met Asp Tyr Cys
Met Phe Cys Met
Met Phe Met Cys
Met Met Cys Phe
Met Met Phe Cys
Met Tyr Cys Asp
Met Tyr Asp Cys
Tyr Cys Asp Met
Tyr Cys Met Asp
Tyr Asp Cys Met
Tyr Asp Met Cys
Tyr Met Cys Asp
Tyr Met Asp Cys
Formononetin 7-(6''-methylmalonylglucoside)
4-O-Caffeoyl-3-O-feruloylquinic acid
3-Caffeoyl-4-feruloylquinic acid
1-Caffeoyl-5-feruloylquinic acid
A quinic acid that is (-)-quinic acid acylated at positions 1 and 5 by caffeoyl and feruloyl groups respectively.
1-Feruloyl-5-caffeoylquinic acid
CHLORO[2-(DI-T-BUTYLPHOSPHINO)BIPHENYL]GOLD(I)
C20H27AuClP (530.1204402000001)
sodium 5-tert-butyl-2-[[9,10-dihydro-8-hydroxy-4-(isopropylamino)-9,10-dioxoanthryl]amino]benzenesulphonate
Chloro[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]silver
2-(2-[4-(3-BENZYLOXY-PHENYLSULFANYL)-2-CHLORO-PHENYL]-ETHYL)-2-FLUORO-MALONIC ACID DIETHYL ESTER
C28H28ClFO5S (530.1329920000001)
luteolin 7-O-beta-D-glucoside-4-(Z-2-methyl-2-butenoate)
An enoate ester obtained by the formal condensation of the 4-hydroxy group of luteolin 7-O-beta-D-glucoside with the carboxy group of angelic acid.
dTDP-beta-L-daunosamine(1-)
A nucleotide-sugar oxoanion that is the conjugate base of dTDP-beta-L-daunosamine, arising from deprotonation of the diphosphate group and protonation of the amino group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
dTDP-3-azaniumyl-3,4,6-trideoxy-alpha-D-glucose(1-)
[(2R,4R,5R,6S)-4-azaniumyl-5-hydroxy-6-methyloxan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S)-2-amino-3-[[(E)-4-amino-4-oxobut-2-enoyl]amino]propanoate
2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
biochanin A 7-O-beta-D-glucoside 6-O-malonate(2-)
C25H22O13-2 (530.1060362000001)
1-(2-Oxo-2-phenylethyl)tetrahydrothiophenium 4-oxo-1-adamantyloxycarbonyldifluoromethanesulfonate
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
7-[(3S)-(3-amino-3-methoxycarbonyl)propyl]wyosine 5-phosphate
4-[6-(Ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzene-1,3-disulfonic acid
C25H26N2O7S2 (530.1181366000001)