Exact Mass: 531.1715494
Exact Mass Matches: 531.1715494
Found 151 metabolites which its exact mass value is equals to given mass value 531.1715494
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Terconazole
Terconazole is only found in individuals that have used or taken this drug. It is an anti-fungal medication, primarily used to treat vaginal fungal infections. [Wikipedia]Terconazole may exert its antifungal activity by disrupting normal fungal cell membrane permeability. Terconazole and other triazole antifungal agents inhibit cytochrome P450 14-alpha-demethylase in susceptible fungi, which leads to the accumulation of lanosterol and other methylated sterols and a decrease in ergosterol concentration. Depletion of ergosterol in the membrane disrupts the structure and function of the fungal cell leading to a decrease or inhibition of fungal growth. G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AG - Triazole derivatives D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
Phaseolotoxin
Rupatadine Fumarate
C30H30ClN3O4 (531.1924730000001)
Rupatadine (UR-12592) Fumarate is a potent, orally active and long-lasting dual PAF/H1 antagonist, with Kis of 0.55 μM and 0.1 μM, respectively. Rupatadine Fumarate can be used for the research of allergic rhinitis and urticaria[1][2][3].
Presatovir
C24H30ClN7O3S (531.1819260000001)
C254 - Anti-Infective Agent > C281 - Antiviral Agent
Alkaloid RC
Alkaloid RC is an alkaloid RC is an alkaloid from Papaver rhoeas (corn poppy)
Alkaloid RC belongs to the family of glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. (Inferred from compound structure)
Neoacrimarine I
Neoacrimarine I is found in citrus. Neoacrimarine I is an alkaloid from the roots of Citrus paradisi (grapefruit Alkaloid from the roots of Citrus paradisi (grapefruit). Neoacrimarine I is found in citrus.
Neoacrimarine F
Neoacrimarine F is found in citrus. Neoacrimarine F is an alkaloid from the roots of Citrus paradisi (grapefruit) x Citrus tangerina (tangerine
Carboxyfluorescein diacetate
3-[[2-(2-Benzoyl-N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]anilino)-2-oxoethyl]carbamoylamino]benzoic acid
Urea, N-(2-chloroethyl)-N'-(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)-N'-(2-methylpropyl)-N-nitroso-
C19H34ClN3O12 (531.1830914000001)
Asn His Phe Asp
Asn Phe His Asp
Cys His Ser Trp
Cys His Trp Ser
Cys Ser His Trp
Cys Ser Trp His
Cys Trp His Ser
Cys Trp Ser His
Asp Asp Pro Trp
C24H29N5O9 (531.1965184000001)
Asp Asp Trp Pro
C24H29N5O9 (531.1965184000001)
Asp Phe His Asn
Asp Phe Asn His
Asp His Phe Asn
Asp His Asn Phe
Asp Asn Phe His
Asp Asn His Phe
Asp Pro Asp Trp
C24H29N5O9 (531.1965184000001)
Asp Pro Trp Asp
C24H29N5O9 (531.1965184000001)
Asp Trp Asp Pro
C24H29N5O9 (531.1965184000001)
Asp Trp Pro Asp
C24H29N5O9 (531.1965184000001)
Phe Asp His Asn
Phe Asp Asn His
Phe His Asp Asn
Phe His Asn Asp
Phe Asn Asp His
Phe Asn His Asp
His Cys Ser Trp
His Cys Trp Ser
His Asp Phe Asn
His Asp Asn Phe
His Phe Asp Asn
His Phe Asn Asp
His Met Met Asn
His Met Asn Met
His Asn Asp Phe
His Asn Phe Asp
His Asn Met Met
His Ser Cys Trp
His Ser Trp Cys
His Trp Cys Ser
His Trp Ser Cys
Met His Met Asn
Met His Asn Met
Met Met His Asn
Met Met Asn His
Met Asn His Met
Met Asn Met His
Asn Asp Phe His
Asn Asp His Phe
Asn Phe Asp His
Asn His Asp Phe
Asn His Met Met
Asn Met His Met
Asn Met Met His
Pro Asp Asp Trp
C24H29N5O9 (531.1965184000001)
Pro Asp Trp Asp
C24H29N5O9 (531.1965184000001)
Pro Trp Asp Asp
C24H29N5O9 (531.1965184000001)
Ser Cys His Trp
Ser Cys Trp His
Ser His Cys Trp
Ser His Trp Cys
Ser Trp Cys His
Ser Trp His Cys
Trp Cys His Ser
Trp Cys Ser His
Trp Asp Asp Pro
C24H29N5O9 (531.1965184000001)
Trp Asp Pro Asp
C24H29N5O9 (531.1965184000001)
Trp His Cys Ser
Trp His Ser Cys
Trp Pro Asp Asp
C24H29N5O9 (531.1965184000001)
Trp Ser Cys His
Trp Ser His Cys
Alkaloid RC
Neoacrimarine F
Neoacrimarine I
1-Dodecyl-3-Methylimidazolium Bis(Trifluoromethylsulfonyl)imide
1H-1,4-Benzodiazepine-1-aceticacid,3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2,3-dihydro-2-oxo-5-phenyl-(9CI)
Ethyl 2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-3-O-(phenylmethyl)-4,6-O-[(R)-phenylmethylene]-1-thio-beta-D-glucopyranoside
butropium bromide
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
5H-(1)Benzopyrano(2,3-b)pyridine-5-acetamide, 2-(4-((ethylmethylamino)carbonyl)-3-fluorophenyl)-alpha,alpha-dimethyl-N-1,3,4-thiadiazol-2-yl-, (5S)-
C28H26FN5O3S (531.1740298000001)
1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine
N-[(5S)-5-acetamido-6-methoxy-6-oxohexyl]-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphonamidic acid
Triaconazole
D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
(3-fluorophenyl)-[(1R)-2-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]methanone
3-(2-fluorophenyl)-1-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea
C27H34FN3O5S (531.2203086000001)
3-(2-fluorophenyl)-1-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea
C27H34FN3O5S (531.2203086000001)
3-(2-fluorophenyl)-1-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea
C27H34FN3O5S (531.2203086000001)
3-(2-fluorophenyl)-1-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea
C27H34FN3O5S (531.2203086000001)
3-(2-fluorophenyl)-1-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea
C27H34FN3O5S (531.2203086000001)
3-(2-fluorophenyl)-1-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea
C27H34FN3O5S (531.2203086000001)
3-(2-fluorophenyl)-1-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea
C27H34FN3O5S (531.2203086000001)
3-(2-fluorophenyl)-1-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea
C27H34FN3O5S (531.2203086000001)
[(1S)-7-methoxy-9-methyl-1-(4-methylphenyl)sulfonyl-2-(phenylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]methanol
(3-fluorophenyl)-[(1S)-2-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]methanone
[(1R)-7-methoxy-9-methyl-1-(4-methylphenyl)sulfonyl-2-(phenylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]methanol
N-[(2S,3R,4R,5S,6R)-4-Hydroxy-6-(hydroxymethyl)-2-[(2S,3R,4S,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
C20H37NO15 (531.2163092000001)
N-[(2S,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,3,5,6-tetrahydroxyhexan-2-yl]acetamide
C20H37NO15 (531.2163092000001)
N-[(2S,3R,4S,5R)-3-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,4,5,6-tetrahydroxyhexan-2-yl]acetamide
C20H37NO15 (531.2163092000001)
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(4,5-dihydroxy-2,3-dimethoxyphenyl)-3-oxopropyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(1-hydroxy-2,4-diphenylbutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid
N-[(2S,3R,4S,5R)-1,5,6-Trihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-2-yl]acetamide
C20H37NO15 (531.2163092000001)
Terconazole
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AG - Triazole derivatives D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
gammaGluCys(IAN)Glu(2-)
A peptide anion obtained by deprotonation of the carboxy groups and protonation of the free amino group of gammaGluCys(IAN)Glu; major species at pH 7.3.
Adenylosuccinic acid (tetraammonium)
C14H30N9O11P (531.1802319999999)
Adenylosuccinic acid tetraammonium (Adenylosuccinate; Aspartyl adenylate) is an orally active purine ribonucleoside monophosphate and plays a role in nucleotide cycle metabolite. Adenylosuccinic acid tetraammonium can be converted into fumaric acid through adenylosuccinate lyase. Adenylosuccinic acid tetraammonium has the potential for the study of duchenne muscular dystrophy(DMD)[1].
DO34
DO34 is a highly potent, selective and centrally active diacylglycerol lipase (DAGL) inhibitor, with an IC50 of 6 nM for DAGLα conversion of SAG to 2-AG, and an IC50 for DAGLβ.
DO34 analog
DO34 analog is a triazole DAGL(α) inhibitor extracted from patent WO2017096315 A1, compound 100.
TBAP-001
TBAP-001 (Synthesis 13), extracted from patent WO2015075483A1, is a pan-RAF kinase inhibitor, with an IC50 of 62 nM in BRAF V600E kinase assay[1].