Exact Mass: 531.166

Exact Mass Matches: 531.166

Found 130 metabolites which its exact mass value is equals to given mass value 531.166, 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 (531.1804)


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

   

Phaseolotoxin

(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-[[amino-(sulfoamino)phosphoryl]amino]pentanoyl]amino]propanoyl]amino]-6-(diaminomethylideneamino)hexanoic acid

C15H34N9O8PS (531.1989)


   

Rupatadine Fumarate

Rupatadine Fumarate

C30H30ClN3O4 (531.1925)


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

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)

   

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 (531.1529)


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 (531.1529)


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 (531.1642)


   

3-[[2-(2-Benzoyl-N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]anilino)-2-oxoethyl]carbamoylamino]benzoic acid

3-[[2-(2-Benzoyl-N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]anilino)-2-oxoethyl]carbamoylamino]benzoic acid

C29H29N3O7 (531.2005)


   

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)


   

CHEMBL4437011

CHEMBL4437011

C29H25NO9 (531.1529)


   

Ezomycin B2|Ezomycin C2

Ezomycin B2|Ezomycin C2

C19H25N5O13 (531.1449)


   
   

4-Methoxyoxohernandaline

4-Methoxyoxohernandaline

C29H25NO9 (531.1529)


   

Oxyanthin 5-benzoate

Oxyanthin 5-benzoate

C26H29NO11 (531.1741)


   
   

Asn His Phe Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]butanedioic acid

C23H29N7O8 (531.2078)


   

Asn Phe His Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]butanedioic acid

C23H29N7O8 (531.2078)


   

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)


   

Asp Asp Pro Trp

(3S)-3-[(2S)-2-amino-3-carboxypropanamido]-4-[(2S)-2-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]-4-oxobutanoic acid

C24H29N5O9 (531.1965)


   

Asp Asp Trp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

C24H29N5O9 (531.1965)


   

Asp Phe His Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanoic acid

C23H29N7O8 (531.2078)


   

Asp Phe Asn His

(3S)-3-amino-3-{[(1S)-1-{[(1S)-2-carbamoyl-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}ethyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoic acid

C23H29N7O8 (531.2078)


   

Asp His Phe Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-3-carbamoylpropanoic acid

C23H29N7O8 (531.2078)


   

Asp His Asn Phe

(3S)-3-amino-3-{[(1S)-1-{[(1S)-2-carbamoyl-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}ethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C23H29N7O8 (531.2078)


   

Asp Asn Phe His

(3S)-3-amino-3-{[(1S)-2-carbamoyl-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}ethyl]carbamoyl}propanoic acid

C23H29N7O8 (531.2078)


   

Asp Asn His Phe

(3S)-3-amino-3-{[(1S)-2-carbamoyl-1-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}ethyl]carbamoyl}propanoic acid

C23H29N7O8 (531.2078)


   

Asp Pro Asp Trp

(3S)-3-{[(2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C24H29N5O9 (531.1965)


   

Asp Pro Trp Asp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]butanedioic acid

C24H29N5O9 (531.1965)


   

Asp Trp Asp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid

C24H29N5O9 (531.1965)


   

Asp Trp Pro Asp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}butanedioic acid

C24H29N5O9 (531.1965)


   

Phe Asp His Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carboxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanoic acid

C23H29N7O8 (531.2078)


   

Phe Asp Asn His

(3S)-3-[(2S)-2-amino-3-phenylpropanamido]-3-{[(1S)-2-carbamoyl-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}ethyl]carbamoyl}propanoic acid

C23H29N7O8 (531.2078)


   

Phe His Asp Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carboxypropanamido]-3-carbamoylpropanoic acid

C23H29N7O8 (531.2078)


   

Phe His Asn Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]butanedioic acid

C23H29N7O8 (531.2078)


   

Phe Asn Asp His

(3S)-3-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carbamoylpropanamido]-3-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C23H29N7O8 (531.2078)


   

Phe Asn His Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]butanedioic acid

C23H29N7O8 (531.2078)


   

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 Asp Phe Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carboxypropanamido]-3-phenylpropanamido]-3-carbamoylpropanoic acid

C23H29N7O8 (531.2078)


   

His Asp Asn Phe

(3S)-3-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-{[(1S)-2-carbamoyl-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}ethyl]carbamoyl}propanoic acid

C23H29N7O8 (531.2078)


   

His Phe Asp Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-3-carboxypropanamido]-3-carbamoylpropanoic acid

C23H29N7O8 (531.2078)


   

His Phe Asn Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-3-carbamoylpropanamido]butanedioic acid

C23H29N7O8 (531.2078)


   

His Met Met Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanoic acid

C20H33N7O6S2 (531.1934)


   

His Met Asn Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]-4-(methylsulfanyl)butanoic acid

C20H33N7O6S2 (531.1934)


   

His Asn Asp Phe

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propanoic acid

C23H29N7O8 (531.2078)


   

His Asn Phe Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]-3-phenylpropanamido]butanedioic acid

C23H29N7O8 (531.2078)


   

His Asn Met Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid

C20H33N7O6S2 (531.1934)


   

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)


   

Met His Met Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanoic acid

C20H33N7O6S2 (531.1934)


   

Met His Asn Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]-4-(methylsulfanyl)butanoic acid

C20H33N7O6S2 (531.1934)


   

Met Met His Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanoic acid

C20H33N7O6S2 (531.1934)


   

Met Met Asn His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C20H33N7O6S2 (531.1934)


   

Met Asn His Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C20H33N7O6S2 (531.1934)


   

Met Asn Met His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanoic acid

C20H33N7O6S2 (531.1934)


   

Asn Asp Phe His

(3S)-3-[(2S)-2-amino-3-carbamoylpropanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoic acid

C23H29N7O8 (531.2078)


   

Asn Asp His Phe

(3S)-3-[(2S)-2-amino-3-carbamoylpropanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C23H29N7O8 (531.2078)


   

Asn Phe Asp His

(3S)-3-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-phenylpropanamido]-3-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C23H29N7O8 (531.2078)


   

Asn His Asp Phe

(3S)-3-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propanoic acid

C23H29N7O8 (531.2078)


   

Asn His Met Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid

C20H33N7O6S2 (531.1934)


   

Asn Met His Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C20H33N7O6S2 (531.1934)


   

Asn Met Met His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanoic acid

C20H33N7O6S2 (531.1934)


   

Pro Asp Asp Trp

(3S)-3-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}ethyl]carbamoyl}-3-[(2S)-pyrrolidin-2-ylformamido]propanoic acid

C24H29N5O9 (531.1965)


   

Pro Asp Trp Asp

(2S)-2-[(2S)-2-[(2S)-3-carboxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C24H29N5O9 (531.1965)


   

Pro Trp Asp Asp

(2S)-2-[(2S)-3-carboxy-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]butanedioic acid

C24H29N5O9 (531.1965)


   

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 Asp Asp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid

C24H29N5O9 (531.1965)


   

Trp Asp Pro Asp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}butanedioic acid

C24H29N5O9 (531.1965)


   

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 Pro Asp Asp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-carboxypropanamido]butanedioic acid

C24H29N5O9 (531.1965)


   

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)


   

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 (531.1529)


   

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 (531.1529)


   

Exatecan (Mesylate)

Exatecan (Mesylate)

C25H26FN3O7S (531.1475)


   
   

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

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

C18H31F6N3O4S2 (531.166)


   

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)


   

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

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 (531.1715)


   

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

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

C30H24CuN6+2 (531.1358)


   

butropium bromide

butropium bromide

C28H38BrNO4 (531.1984)


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)-

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)


   

cyclo-dopa glucuronosyl glucoside

cyclo-dopa glucuronosyl glucoside

C21H25NO15-2 (531.1224)


   

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

   

(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-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

C30H27F2N3O4 (531.197)


   

(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

(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

C30H27F2N3O4 (531.197)


   

gammaGluCys(IAN)Glu(2-)

gammaGluCys(IAN)Glu(2-)

C23H25N5O8S-2 (531.1424)


   

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-(4,5-dihydroxy-2,3-dimethoxyphenyl)-3-oxopropyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid

C21H29N3O11S (531.1523)


   

2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(1-hydroxy-2,4-diphenylbutan-2-yl)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

C26H33N3O7S (531.2039)


   

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

   

gammaGluCys(IAN)Glu(2-)

gammaGluCys(IAN)Glu(2-)

C23H25N5O8S (531.1424)


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)

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].

   

DO34

DO34

C26H28F3N5O4 (531.2093)


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

C26H28F3N5O4 (531.2093)


DO34 analog is a triazole DAGL(α) inhibitor extracted from patent WO2017096315 A1, compound 100.

   

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].

   

7,18-dihydroxy-12-(3-hydroxy-4-methoxyphenyl)-8,16,17-trimethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-3-one

7,18-dihydroxy-12-(3-hydroxy-4-methoxyphenyl)-8,16,17-trimethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-3-one

C29H25NO9 (531.1529)


   

(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)


   

n-[3-(1h-indol-3-yl)-1-oxo-1-{[4-(sulfooxy)phenyl]methoxy}propan-2-yl]-4-methyl-2-(methylamino)hexanimidic acid

n-[3-(1h-indol-3-yl)-1-oxo-1-{[4-(sulfooxy)phenyl]methoxy}propan-2-yl]-4-methyl-2-(methylamino)hexanimidic acid

C26H33N3O7S (531.2039)


   

[(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)


   

1-hydroxy-5-{[(9r,10r)-9-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl]oxy}-3,6-dimethoxy-10h-acridin-9-one

1-hydroxy-5-{[(9r,10r)-9-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl]oxy}-3,6-dimethoxy-10h-acridin-9-one

C29H25NO9 (531.1529)


   

1,6-dihydroxy-5-({9-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl}oxy)-3-methoxy-10-methylacridin-9-one

1,6-dihydroxy-5-({9-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl}oxy)-3-methoxy-10-methylacridin-9-one

C29H25NO9 (531.1529)


   

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)


   

7,18-dihydroxy-12-(4-hydroxy-3-methoxyphenyl)-8,16,17-trimethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-3-one

7,18-dihydroxy-12-(4-hydroxy-3-methoxyphenyl)-8,16,17-trimethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-3-one

C29H25NO9 (531.1529)


   

1,6-dihydroxy-5-{[(9s,10s)-9-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl]oxy}-3-methoxy-10-methylacridin-9-one

1,6-dihydroxy-5-{[(9s,10s)-9-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl]oxy}-3-methoxy-10-methylacridin-9-one

C29H25NO9 (531.1529)


   

(2s,4s)-n-[(2s)-3-(1h-indol-3-yl)-1-oxo-1-{[4-(sulfooxy)phenyl]methoxy}propan-2-yl]-4-methyl-2-(methylamino)hexanimidic acid

(2s,4s)-n-[(2s)-3-(1h-indol-3-yl)-1-oxo-1-{[4-(sulfooxy)phenyl]methoxy}propan-2-yl]-4-methyl-2-(methylamino)hexanimidic acid

C26H33N3O7S (531.2039)


   

1-hydroxy-5-{[(9s,10s)-9-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl]oxy}-3,6-dimethoxy-10h-acridin-9-one

1-hydroxy-5-{[(9s,10s)-9-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl]oxy}-3,6-dimethoxy-10h-acridin-9-one

C29H25NO9 (531.1529)


   

1-hydroxy-5-({9-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl}oxy)-3,6-dimethoxy-10h-acridin-9-one

1-hydroxy-5-({9-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl}oxy)-3,6-dimethoxy-10h-acridin-9-one

C29H25NO9 (531.1529)