Exact Mass: 531.1358334

Exact Mass Matches: 531.1358334

Found 49 metabolites which its exact mass value is equals to given mass value 531.1358334, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Terconazole

1-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-(propan-2-yl)piperazine

C26H31Cl2N5O3 (531.1803836)

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

dTDP-3-amino-3,4,6-trideoxy-D-glucose

dTDP-3-amino-3,4,6-trideoxy-D-glucose; dTDP-3-amino-3,4,6-trideoxy-alpha-D-glucose

C16H27N3O13P2 (531.1019072)

dTDP-beta-L-daunosamine

dTDP-β-L-daunosamine

C16H27N3O13P2 (531.1019072)

A dTDP-sugar having beta-L-daunosamine as the sugar component.

dTDP-4-methylamino-2,4-dideoxy-beta-L-xylose

C16H27N3O13P2 (531.1019072)

Presatovir

C24H30ClN7O3S (531.1819260000001)

C254 - Anti-Infective Agent > C281 - Antiviral Agent

dTDP-L-ristosamine

C16H27N3O13P2 (531.1019072)

dTDP-2,6-dideoxy-D-kanosamine

C16H27N3O13P2 (531.1019072)

Alkaloid RC

2-(hydroxymethyl)-6-({13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁸,²²]pentacosa-2,4(8),9,15(23),16,18(22)-hexaen-24-yl}oxy)oxane-3,4,5-triol

C26H29NO11 (531.1740524)

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

1-hydroxy-5-({13-hydroxy-12,12-dimethyl-4-oxo-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),5,8-tetraen-14-yl}oxy)-3,6-dimethoxy-9,10-dihydroacridin-9-one

C29H25NO9 (531.152924)

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

1,6-dihydroxy-5-({13-hydroxy-12,12-dimethyl-4-oxo-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),5,8-tetraen-14-yl}oxy)-3-methoxy-10-methyl-9,10-dihydroacridin-9-one

C29H25NO9 (531.152924)

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-(acetyloxy)-5-[(2,3-diaminopropyl)carbamoyl]-3-oxo-3H-spiro[2-benzofuran-1,9-xanthene]-6-yl acetate

C28H25N3O8 (531.164157)

Urea, N-(2-chloroethyl)-N'-(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)-N'-(2-methylpropyl)-N-nitroso-

3-(2-chloroethyl)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]-1-(2-methylpropyl)-3-nitrosourea

C19H34ClN3O12 (531.1830914000001)

I-SAP

(Z)-[3S-[1alpha,2alpha,3beta,5alpha]]-7-[3-[[(4-iodophenyl)sulfonyl]amino]-6,6-dimethylbicyclo[3.1.1]hept-2-yl]-5-heptenoic acid

C22H30INO4S (531.094021)

Alkaloid RC

2-(hydroxymethyl)-6-({13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.0^{2,10}.0^{4,8}.0^{15,23}.0^{18,22}]pentacosa-2,4(8),9,15(23),16,18(22)-hexaen-24-yl}oxy)oxane-3,4,5-triol

C26H29NO11 (531.1740524)

Neoacrimarine F

1,6-dihydroxy-5-({13-hydroxy-12,12-dimethyl-4-oxo-3,11-dioxatricyclo[8.4.0.0^{2,7}]tetradeca-1,5,7,9-tetraen-14-yl}oxy)-3-methoxy-10-methyl-9,10-dihydroacridin-9-one

C29H25NO9 (531.152924)

Neoacrimarine I

1-hydroxy-5-({13-hydroxy-12,12-dimethyl-4-oxo-3,11-dioxatricyclo[8.4.0.0^{2,7}]tetradeca-1,5,7,9-tetraen-14-yl}oxy)-3,6-dimethoxy-9,10-dihydroacridin-9-one

C29H25NO9 (531.152924)

Exatecan (Mesylate)

C25H26FN3O7S (531.1475418)

Fmoc-His(Tos)-OH

C28H25N3O6S (531.146399)

3-(7-Bromo-9,9-dimethyl-9H-fluoren-2-yl)-9-(4-fluorophenyl)-9H-carbazole

C33H23BrFN (531.099779)

1-Dodecyl-3-Methylimidazolium Bis(Trifluoromethylsulfonyl)imide

C18H31F6N3O4S2 (531.1660078)

1H-1,4-Benzodiazepine-1-aceticacid,3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2,3-dihydro-2-oxo-5-phenyl-(9CI)

C32H25N3O5 (531.179412)

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

C30H29NO6S (531.1715494)

Tris(2,2-bipyridine)copper(2+)

C30H24CuN6+2 (531.1358334)

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)

dTDP-3-amino-3,4,6-trideoxy-alpha-D-glucose

C16H27N3O13P2 (531.1019072)

dTpdC

C19H26N5O11P (531.1366376)

1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine

C26H31Cl2N5O3 (531.1803836)

Biochanin a 7-O-beta-D-glucoside 6-O-malonate

C25H23O13- (531.1138608)

trifolirhizin-6-O-malonat

C25H23O13- (531.1138608)

cyclo-dopa glucuronosyl glucoside

C21H25NO15-2 (531.122414)

6-O-malonylswertisin

C25H23O13- (531.1138608)

glycition 6-O-malonate

C25H23O13- (531.1138608)

calycosin 7-O-(6-O-malonyl)glucoside

C25H23O13- (531.1138608)

(2R)-2-hydroxy-3-[hydroxy-[(2R,3S,4S)-2,3,4-trihydroxy-5-(2,4,8-trioxo-1H-pyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl]oxypropanoic acid

C19H22N3O13P (531.0890212)

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

C19H30N7O9P (531.184254)

Triaconazole

C26H31Cl2N5O3 (531.1803836)

D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent

gammaGluCys(IAN)Glu(2-)

C23H25N5O8S-2 (531.142377)

2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(4,5-dihydroxy-2,3-dimethoxyphenyl)-3-oxopropyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid

C21H29N3O11S (531.1522724)

Terconazole

C26H31Cl2N5O3 (531.1803836)

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-)

C23H25N5O8S (531.142377)

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.

3PG-factor 420-0

C19H22N3O13P (531.0890212)

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].

TBAP-001

C27H23F2N7O3 (531.1830352)

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].