Exact Mass: 531.1819

Exact Mass Matches: 531.1819

Found 42 metabolites which its exact mass value is equals to given mass value 531.1819, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 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 (531.1804)


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

   

Presatovir

Presatovir

C24H30ClN7O3S (531.1819)


C254 - Anti-Infective Agent > C281 - Antiviral Agent

   

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 (531.1741)


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)

   

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 (531.1831)


   

Oxyanthin 5-benzoate

Oxyanthin 5-benzoate

C26H29NO11 (531.1741)


   

Cys His Ser Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanoic acid

C23H29N7O6S (531.19)


   

Cys His Trp Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanoic acid

C23H29N7O6S (531.19)


   

Cys Ser His Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C23H29N7O6S (531.19)


   

Cys Ser Trp His

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H29N7O6S (531.19)


   

Cys Trp His Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanoic acid

C23H29N7O6S (531.19)


   

Cys Trp Ser His

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H29N7O6S (531.19)


   

His Cys Ser Trp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanoic acid

C23H29N7O6S (531.19)


   

His Cys Trp Ser

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanoic acid

C23H29N7O6S (531.19)


   

His Ser Cys Trp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C23H29N7O6S (531.19)


   

His Ser Trp Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoic acid

C23H29N7O6S (531.19)


   

His Trp Cys Ser

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid

C23H29N7O6S (531.19)


   

His Trp Ser Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid

C23H29N7O6S (531.19)


   

Ser Cys His Trp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C23H29N7O6S (531.19)


   

Ser Cys Trp His

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H29N7O6S (531.19)


   

Ser His Cys Trp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C23H29N7O6S (531.19)


   

Ser His Trp Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoic acid

C23H29N7O6S (531.19)


   

Ser Trp Cys His

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H29N7O6S (531.19)


   

Ser Trp His Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanoic acid

C23H29N7O6S (531.19)


   

Trp Cys His Ser

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanoic acid

C23H29N7O6S (531.19)


   

Trp Cys Ser His

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H29N7O6S (531.19)


   

Trp His Cys Ser

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid

C23H29N7O6S (531.19)


   

Trp His Ser Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid

C23H29N7O6S (531.19)


   

Trp Ser Cys His

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H29N7O6S (531.19)


   

Trp Ser His Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanoic acid

C23H29N7O6S (531.19)


   

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 (531.1741)


   

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

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

C32H25N3O5 (531.1794)


   

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)-

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 (531.174)


   

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

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

C26H31Cl2N5O3 (531.1804)


   

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

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 (531.1843)


   

Triaconazole

Triaconazole

C26H31Cl2N5O3 (531.1804)


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

   

Terconazole

Terconazole

C26H31Cl2N5O3 (531.1804)


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

   

Adenylosuccinic acid (tetraammonium)

Adenylosuccinic acid (tetraammonium)

C14H30N9O11P (531.1802)


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

TBAP-001

C27H23F2N7O3 (531.183)


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].

   

(7r,8r,10s)-10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-8-ethyl-1,4,6,7,8,11-hexahydroxy-9,10-dihydro-7h-tetracene-5,12-dione

(7r,8r,10s)-10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-8-ethyl-1,4,6,7,8,11-hexahydroxy-9,10-dihydro-7h-tetracene-5,12-dione

C26H29NO11 (531.1741)


   

[(3s,4r,5r)-5-{[(2r,3s,4s,5r,6r)-6-[(r)-cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,4-dihydroxyoxolan-3-yl]methyl benzoate

[(3s,4r,5r)-5-{[(2r,3s,4s,5r,6r)-6-[(r)-cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,4-dihydroxyoxolan-3-yl]methyl benzoate

C26H29NO11 (531.1741)


   

[5-({6-[cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3,4-dihydroxyoxolan-3-yl]methyl benzoate

[5-({6-[cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3,4-dihydroxyoxolan-3-yl]methyl benzoate

C26H29NO11 (531.1741)


   

12-(3,5-dimethoxyphenyl)-8,16,17-trimethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5,7,9,12,14,16,18-octaene-7,18-diol

12-(3,5-dimethoxyphenyl)-8,16,17-trimethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5,7,9,12,14,16,18-octaene-7,18-diol

C30H29NO8 (531.1893)