Exact Mass: 521.1420626

Exact Mass Matches: 521.1420626

Found 132 metabolites which its exact mass value is equals to given mass value 521.1420626, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Apalcillin

3,3-dimethyl-7-oxo-6-{2-[(4-oxo-1,4-dihydro-1,5-naphthyridin-3-yl)formamido]-2-phenylacetamido}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

C25H23N5O6S (521.1368978)


   

Petunidin 3-O-(6'-acetyl-galactoside)

3-{[(3R,4S,5R,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium

C24H25O13 (521.12951)


Petunidin 3-o-(6-acetyl-galactoside) is a member of the class of compounds known as anthocyanidin-3-o-glycosides. Anthocyanidin-3-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Petunidin 3-o-(6-acetyl-galactoside) is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Petunidin 3-o-(6-acetyl-galactoside) can be found in highbush blueberry and lowbush blueberry, which makes petunidin 3-o-(6-acetyl-galactoside) a potential biomarker for the consumption of these food products.

   

Petunidin 3-(6'-acetylglucoside)

3-{[(2S,3R,4S,5S,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium

C24H25O13 (521.12951)


Petunidin 3-o-(acetylglucoside) is a member of the class of compounds known as anthocyanidin-3-o-glycosides. Anthocyanidin-3-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Petunidin 3-o-(acetylglucoside) is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Petunidin 3-o-(acetylglucoside) can be found in a number of food items such as summer grape, common grape, rubus (blackberry, raspberry), and grape wine, which makes petunidin 3-o-(acetylglucoside) a potential biomarker for the consumption of these food products. Petunidin 3-o-(acetylglucoside) may be a unique S.cerevisiae (yeast) metabolite.

   
   
   

Petunidin 3-(6-acetylglucoside)

2- (3,4-Dihydroxy-5-methoxyphenyl) -3- [ (6-O-acetyl-beta-D-glucopyranosyl) oxy ] -5,7-dihydroxy-1-benzopyrylium

C24H25O13 (521.12951)


   

Ophrysanin

3,5,7,3,4-Pentahydroxyflavylium 3- (6"-oxalylglucoside)

C23H21O14 (521.0931266)


   
   
   
   
   
   

Polyoxin D, Streptomyces cacaoi var. asoensis

Polyoxin D, Streptomyces cacaoi var. asoensis

C17H23N5O14 (521.1241458)


   

Cys Asp Glu Arg

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carboxypropanamido]-4-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}butanoic acid

C18H31N7O9S (521.1903876)


   

Cys Asp Arg Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carboxypropanamido]-5-carbamimidamidopentanamido]pentanedioic acid

C18H31N7O9S (521.1903876)


   

Cys Glu Asp Arg

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-1-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}-2-carboxyethyl]carbamoyl}butanoic acid

C18H31N7O9S (521.1903876)


   

Cys Glu Arg Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carboxybutanamido]-5-carbamimidamidopentanamido]butanedioic acid

C18H31N7O9S (521.1903876)


   

Cys Arg Asp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-3-carboxypropanamido]pentanedioic acid

C18H31N7O9S (521.1903876)


   

Cys Arg Glu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-4-carboxybutanamido]butanedioic acid

C18H31N7O9S (521.1903876)


   

Asp Cys Glu Arg

(4S)-4-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-4-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}butanoic acid

C18H31N7O9S (521.1903876)


   

Asp Cys Arg Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]pentanedioic acid

C18H31N7O9S (521.1903876)


   

Asp Asp Ser Trp

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

C22H27N5O10 (521.1757842000001)


   

Asp Asp Trp Ser

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

C22H27N5O10 (521.1757842000001)


   

Asp Glu Cys Arg

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carboxybutanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanoic acid

C18H31N7O9S (521.1903876)


   

Asp Glu Met Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carboxybutanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanoic acid

C19H31N5O10S (521.1791546000001)


   

Asp Glu Gln Met

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}propyl]carbamoyl}butanoic acid

C19H31N5O10S (521.1791546000001)


   

Asp Glu Arg Cys

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1S)-4-carbamimidamido-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butyl]carbamoyl}butanoic acid

C18H31N7O9S (521.1903876)


   

Asp Met Glu Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-4-carboxybutanamido]-4-carbamoylbutanoic acid

C19H31N5O10S (521.1791546000001)


   

Asp Met Gln Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]pentanedioic acid

C19H31N5O10S (521.1791546000001)


   

Asp Gln Glu Met

(4S)-4-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carbamoylbutanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C19H31N5O10S (521.1791546000001)


   

Asp Gln Met Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C19H31N5O10S (521.1791546000001)


   

Asp Arg Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]pentanedioic acid

C18H31N7O9S (521.1903876)


   

Asp Arg Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-5-carbamimidamidopentanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C18H31N7O9S (521.1903876)


   

Asp Ser Asp Trp

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

C22H27N5O10 (521.1757842000001)


   

Asp Ser Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C22H27N5O10 (521.1757842000001)


   

Asp Trp Asp Ser

(3S)-3-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propanoic acid

C22H27N5O10 (521.1757842000001)


   

Asp Trp Ser Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]butanedioic acid

C22H27N5O10 (521.1757842000001)


   

Glu Cys Asp Arg

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-sulfanylpropanamido]-3-carboxypropanamido]-5-carbamimidamidopentanoic acid

C18H31N7O9S (521.1903876)


   

Glu Cys Arg Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]butanedioic acid

C18H31N7O9S (521.1903876)


   

Glu Asp Cys Arg

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carboxypropanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanoic acid

C18H31N7O9S (521.1903876)


   

Glu Asp Met Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanoic acid

C19H31N5O10S (521.1791546000001)


   

Glu Asp Gln Met

(4S)-4-amino-4-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}propyl]carbamoyl}-2-carboxyethyl]carbamoyl}butanoic acid

C19H31N5O10S (521.1791546000001)


   

Glu Asp Arg Cys

(4S)-4-amino-4-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butyl]carbamoyl}-2-carboxyethyl]carbamoyl}butanoic acid

C18H31N7O9S (521.1903876)


   

Glu Glu Met Asn

(4S)-4-[(2S)-2-amino-4-carboxybutanamido]-4-{[(1S)-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C19H31N5O10S (521.1791546000001)


   

Glu Glu Asn Met

(4S)-4-[(2S)-2-amino-4-carboxybutanamido]-4-{[(1S)-2-carbamoyl-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C19H31N5O10S (521.1791546000001)


   

Glu Met Asp Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-4-carbamoylbutanoic acid

C19H31N5O10S (521.1791546000001)


   

Glu Met Glu Asn

(4S)-4-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-(methylsulfanyl)butanamido]-4-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}butanoic acid

C19H31N5O10S (521.1791546000001)


   

Glu Met Asn Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]pentanedioic acid

C19H31N5O10S (521.1791546000001)


   

Glu Met Gln Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]butanedioic acid

C19H31N5O10S (521.1791546000001)


   

Glu Asn Glu Met

(4S)-4-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carbamoylpropanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C19H31N5O10S (521.1791546000001)


   

Glu Asn Met Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C19H31N5O10S (521.1791546000001)


   

Glu Gln Asp Met

(4S)-4-amino-4-{[(1S)-3-carbamoyl-1-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}ethyl]carbamoyl}propyl]carbamoyl}butanoic acid

C19H31N5O10S (521.1791546000001)


   

Glu Gln Met Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

C19H31N5O10S (521.1791546000001)


   

Glu Arg Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]butanedioic acid

C18H31N7O9S (521.1903876)


   

Glu Arg Asp Cys

(4S)-4-amino-4-{[(1S)-4-carbamimidamido-1-{[(1S)-2-carboxy-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}butyl]carbamoyl}butanoic acid

C18H31N7O9S (521.1903876)


   

Met Asp Glu Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-4-carboxybutanamido]-4-carbamoylbutanoic acid

C19H31N5O10S (521.1791546000001)


   

Met Asp Gln Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-4-carbamoylbutanamido]pentanedioic acid

C19H31N5O10S (521.1791546000001)


   

Met Glu Asp Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carboxybutanamido]-3-carboxypropanamido]-4-carbamoylbutanoic acid

C19H31N5O10S (521.1791546000001)


   

Met Glu Glu Asn

(4S)-4-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carboxybutanamido]-4-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}butanoic acid

C19H31N5O10S (521.1791546000001)


   

Met Glu Asn Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carboxybutanamido]-3-carbamoylpropanamido]pentanedioic acid

C19H31N5O10S (521.1791546000001)


   

Met Glu Gln Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carboxybutanamido]-4-carbamoylbutanamido]butanedioic acid

C19H31N5O10S (521.1791546000001)


   

Met Asn Glu Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]-4-carboxybutanamido]pentanedioic acid

C19H31N5O10S (521.1791546000001)


   

Met Gln Asp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-3-carboxypropanamido]pentanedioic acid

C19H31N5O10S (521.1791546000001)


   

Met Gln Glu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-4-carboxybutanamido]butanedioic acid

C19H31N5O10S (521.1791546000001)


   

Asn Glu Glu Met

(4S)-4-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-carboxybutanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C19H31N5O10S (521.1791546000001)


   

Asn Glu Met Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-carboxybutanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C19H31N5O10S (521.1791546000001)


   

Asn Met Glu Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]-4-carboxybutanamido]pentanedioic acid

C19H31N5O10S (521.1791546000001)


   

Gln Asp Glu Met

(4S)-4-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-carboxypropanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C19H31N5O10S (521.1791546000001)


   

Gln Asp Met Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C19H31N5O10S (521.1791546000001)


   

Gln Glu Asp Met

(4S)-4-[(2S)-2-amino-4-carbamoylbutanamido]-4-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C19H31N5O10S (521.1791546000001)


   

Gln Glu Met Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-carboxybutanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

C19H31N5O10S (521.1791546000001)


   

Gln Met Asp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]pentanedioic acid

C19H31N5O10S (521.1791546000001)


   

Gln Met Glu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-4-carboxybutanamido]butanedioic acid

C19H31N5O10S (521.1791546000001)


   

Arg Cys Asp Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-3-carboxypropanamido]pentanedioic acid

C18H31N7O9S (521.1903876)


   

Arg Cys Glu Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-4-carboxybutanamido]butanedioic acid

C18H31N7O9S (521.1903876)


   

Arg Asp Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-carboxypropanamido]-3-sulfanylpropanamido]pentanedioic acid

C18H31N7O9S (521.1903876)


   

Arg Asp Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-carboxypropanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C18H31N7O9S (521.1903876)


   

Arg Glu Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-carboxybutanamido]-3-sulfanylpropanamido]butanedioic acid

C18H31N7O9S (521.1903876)


   

Arg Glu Asp Cys

(4S)-4-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-{[(1S)-2-carboxy-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C18H31N7O9S (521.1903876)


   

Ser Asp Asp Trp

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

C22H27N5O10 (521.1757842000001)


   

Ser Asp Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C22H27N5O10 (521.1757842000001)


   

Ser Trp Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]butanedioic acid

C22H27N5O10 (521.1757842000001)


   

Trp Asp Asp Ser

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propanoic acid

C22H27N5O10 (521.1757842000001)


   

Trp Asp Ser Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-hydroxypropanamido]butanedioic acid

C22H27N5O10 (521.1757842000001)


   

Trp Ser Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-3-carboxypropanamido]butanedioic acid

C22H27N5O10 (521.1757842000001)


   
   

4-[[5-(acetylamino)-1-(hydroxymethyl)-1H-indol-3-yl]methyl]-3-methoxy-N-[(2-methylphenyl)sulfonyl]-B

4-[[5-(acetylamino)-1-(hydroxymethyl)-1H-indol-3-yl]methyl]-3-methoxy-N-[(2-methylphenyl)sulfonyl]-B

C27H27N3O6S (521.1620482000001)


   

arachidonoyl-(4-bromobenzenesulfon)amide

N-(4-bromo-benzenesulfon)-5Z,8Z,11Z,14Z-eicosatetraenoyl amine

C26H36BrNO3S (521.1599126000001)


   

arachidonoyl-(4-bromobenzenesulfon)amide

N-(4-bromo-benzenesulfon)-5Z,8Z,11Z,14Z-eicosatetraenoyl amine

C26H36NO3SBr (521.1599126)


   

5-[4-[(2S)-2-(1H-Benzimidazol-2-yl)-2-(2-benzothiazolylamino)ethyl]-2-fluorophenyl]-3-isothiazolidinone 1,1-dioxide

5-[4-[(2S)-2-(1H-Benzimidazol-2-yl)-2-(2-benzothiazolylamino)ethyl]-2-fluorophenyl]-3-isothiazolidinone 1,1-dioxide

C25H20FN5O3S2 (521.0991542)


   

azanium,sodium,formaldehyde,5-methyl-5-(1-methylcyclohexa-2,4-dien-1-yl)oxycyclohexa-1,3-diene,2-(2-oxidophenyl)sulfonylphenolate

azanium,sodium,formaldehyde,5-methyl-5-(1-methylcyclohexa-2,4-dien-1-yl)oxycyclohexa-1,3-diene,2-(2-oxidophenyl)sulfonylphenolate

C27H32NNaO6S (521.1847932000001)


   

2-AMINO-6-CHLORO-9-(3,5-DI-O-(P-TOLUOYL)-BETA-D-2-DEOXYRIBOFURNANOSYL)PURINE

2-AMINO-6-CHLORO-9-(3,5-DI-O-(P-TOLUOYL)-BETA-D-2-DEOXYRIBOFURNANOSYL)PURINE

C26H24ClN5O5 (521.1465884)


   

apalcillin

apalcillin

C25H23N5O6S (521.1368978)


C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic

   

N-(2-aminoethyl)ethane-1,2-diamine,2-(chloromethyl)oxirane,formic acid,hexanedioic acid,sulfuric acid,hydrochloride

N-(2-aminoethyl)ethane-1,2-diamine,2-(chloromethyl)oxirane,formic acid,hexanedioic acid,sulfuric acid,hydrochloride

C14H33Cl2N3O11S (521.1212768)


   

N-(5-Bromo-2-pyridinyl)-2-[[4-(imino-1-pyrrolidinylmethyl)benzoyl]amino]-5-methoxybenzamide

N-(5-Bromo-2-pyridinyl)-2-[[4-(imino-1-pyrrolidinylmethyl)benzoyl]amino]-5-methoxybenzamide

C25H24BrN5O3 (521.1062414)


   

4-bromo-N,N,1-tris[(4-methoxyphenyl)methyl]pyrazol-3-amine

4-bromo-N,N,1-tris[(4-methoxyphenyl)methyl]pyrazol-3-amine

C27H28BrN3O3 (521.1313918000001)


   
   

Cyclopropa(4,5)cyclopenta(1,2-C)pyridine-6-carboxylic acid, 3-((2,6-dimethyl-4-(3-(methylsulfonyl)propoxy)(1,1-biphenyl)-3-yl)methoxy)-5,5a,6,6a-tetrahydro-, (5aR,6S,6aS)-

Cyclopropa(4,5)cyclopenta(1,2-C)pyridine-6-carboxylic acid, 3-((2,6-dimethyl-4-(3-(methylsulfonyl)propoxy)(1,1-biphenyl)-3-yl)methoxy)-5,5a,6,6a-tetrahydro-, (5aR,6S,6aS)-

C29H31NO6S (521.1871986)


   

beta-D-Allofuranuronic acid, 5-[[2-amino-5-O-(aminocarbonyl)-2-deoxy-L-xylonoyl]amino]-1-(5-carboxy-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-1,5-dideoxy-

beta-D-Allofuranuronic acid, 5-[[2-amino-5-O-(aminocarbonyl)-2-deoxy-L-xylonoyl]amino]-1-(5-carboxy-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-1,5-dideoxy-

C17H23N5O14 (521.1241458)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D004791 - Enzyme Inhibitors

   

Benzamide, 2-nitro-4-((6-nitro-4-quinolinyl)amino)-N-(4-(4-pyridinylamino)phenyl)-

Benzamide, 2-nitro-4-((6-nitro-4-quinolinyl)amino)-N-(4-(4-pyridinylamino)phenyl)-

C27H19N7O5 (521.1447604)


   

N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]-2-morpholin-4-ylacetamide

N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]-2-morpholin-4-ylacetamide

C27H25ClFN5O3 (521.1629862)


   

Petunidin 3-(6'-acetylglucoside)

3-{[(2S,3R,4S,5S,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium

C24H25O13+ (521.12951)


Petunidin 3-o-(acetylglucoside) is a member of the class of compounds known as anthocyanidin-3-o-glycosides. Anthocyanidin-3-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Petunidin 3-o-(acetylglucoside) is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Petunidin 3-o-(acetylglucoside) can be found in a number of food items such as summer grape, common grape, rubus (blackberry, raspberry), and grape wine, which makes petunidin 3-o-(acetylglucoside) a potential biomarker for the consumption of these food products. Petunidin 3-o-(acetylglucoside) may be a unique S.cerevisiae (yeast) metabolite.

   

rosmarinic acid 3-O-beta-glucoside

rosmarinic acid 3-O-beta-glucoside

C24H25O13- (521.12951)


   

[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 5-[(3R)-dithiolan-3-yl]pentyl hydrogen phosphate

[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 5-[(3R)-dithiolan-3-yl]pentyl hydrogen phosphate

C18H28N5O7PS2 (521.1167708)


   

Petunidin 3-O-(6-acetyl-galactoside)

Petunidin 3-O-(6-acetyl-galactoside)

C24H25O13+ (521.12951)


   

Lonijaposide E

Lonijaposide E

C25H31NO11 (521.1897016)


A natural product found in Lonicera japonica.

   

Lonijaposide M

Lonijaposide M

C25H31NO11 (521.1897016)


A natural product found in Lonicera japonica.

   

4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-2-thiazolyl]benzamide

4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-2-thiazolyl]benzamide

C27H24FN3O5S (521.1420626)


   

N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide

N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide

C24H31N3O6S2 (521.1654186000001)


   

(1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-(2-thiazolylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide

(1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-(2-thiazolylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide

C27H28FN5O3S (521.1896790000001)


   

(1R)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-(2-thiazolylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide

(1R)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-(2-thiazolylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide

C27H28FN5O3S (521.1896790000001)


   
   

alpha-D-Kdo-5P-(2->6)-beta-D-GlcNAc

alpha-D-Kdo-5P-(2->6)-beta-D-GlcNAc

C16H28NO16P (521.1145658)


An amino disaccharide consisting of a 3-deoxy-5-O-phosphono-D-manno-oct-2-ulose residue attached to beta-glucosamine via an alpha-(2->6)-linkage.

   

alpha-D-Kdo-4P-(2->6)-beta-D-GlcNAc

alpha-D-Kdo-4P-(2->6)-beta-D-GlcNAc

C16H28NO16P (521.1145658)


An amino disaccharide consisting of a 3-deoxy-4-O-phosphono-D-manno-oct-2-ulose residue attached to beta-glucosamine via an alpha-(2->6)-linkage.

   

Petunidin 3-(6-acetylglucoside)

Petunidin 3-(6-acetylglucoside)

C24H25O13+ (521.12951)


   

3-[[6-[[5,7-Dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydrochromen-1-ium-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

3-[[6-[[5,7-Dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydrochromen-1-ium-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

C24H25O13+ (521.12951)


   

polyoxorim

polyoxorim

C17H23N5O14 (521.1241458)


A member of the class of polyoxins that is isolated from the soil organism Streptomyces cacaoi var. asoensis. Polyoxorim exhibits fungicidal properties and may be used on rice, industrial grounds, golf courses and parks.

   

Petunidin 3-O-(6'-acetyl)-galactoside

Petunidin 3-O-(6'-acetyl)-galactoside

C24H25O13 (521.12951)


   

Petunidin 3-O-(6'-acetyl)-glucoside

Petunidin 3-O-(6'-acetyl)-glucoside

C24H25O13 (521.12951)


   

methyl (1r,3r,4r,7r,9r,11s,12s,13s)-5-(6-aminopurin-9-yl)-1,4,12-trihydroxy-13-{[(2e)-2-methylbut-2-enoyl]oxy}-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate

methyl (1r,3r,4r,7r,9r,11s,12s,13s)-5-(6-aminopurin-9-yl)-1,4,12-trihydroxy-13-{[(2e)-2-methylbut-2-enoyl]oxy}-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate

C22H27N5O10 (521.1757842000001)


   

3-{[(2s,3r,4s,5s,6r)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-1λ⁴-chromen-1-ylium

3-{[(2s,3r,4s,5s,6r)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-1λ⁴-chromen-1-ylium

[C24H25O13]+ (521.12951)


   

methyl 5-(6-aminopurin-9-yl)-1,4,12-trihydroxy-13-[(2-methylbut-2-enoyl)oxy]-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate

methyl 5-(6-aminopurin-9-yl)-1,4,12-trihydroxy-13-[(2-methylbut-2-enoyl)oxy]-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate

C22H27N5O10 (521.1757842000001)


   

(2r,3r,4s,5s,6r)-4,5-dihydroxy-2-{[5-hydroxy-4-(methoxymethyl)-6-methylpyridin-3-yl]methoxy}-6-(hydroxymethyl)oxan-3-yl (2s,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxane-2-carboxylate

(2r,3r,4s,5s,6r)-4,5-dihydroxy-2-{[5-hydroxy-4-(methoxymethyl)-6-methylpyridin-3-yl]methoxy}-6-(hydroxymethyl)oxan-3-yl (2s,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxane-2-carboxylate

C21H31NO14 (521.1744466)


   

methyl (1r,3r,4r,5r,7r,9r,11s,12s,13s)-5-(6-aminopurin-9-yl)-1,4,12-trihydroxy-13-{[(2e)-2-methylbut-2-enoyl]oxy}-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate

methyl (1r,3r,4r,5r,7r,9r,11s,12s,13s)-5-(6-aminopurin-9-yl)-1,4,12-trihydroxy-13-{[(2e)-2-methylbut-2-enoyl]oxy}-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate

C22H27N5O10 (521.1757842000001)


   

4,5-dihydroxy-2-{[5-hydroxy-4-(methoxymethyl)-6-methylpyridin-3-yl]methoxy}-6-(hydroxymethyl)oxan-3-yl 3,4,5,6-tetrahydroxyoxane-2-carboxylate

4,5-dihydroxy-2-{[5-hydroxy-4-(methoxymethyl)-6-methylpyridin-3-yl]methoxy}-6-(hydroxymethyl)oxan-3-yl 3,4,5,6-tetrahydroxyoxane-2-carboxylate

C21H31NO14 (521.1744466)


   

1-[(2r,3r,4s,5r)-5-[(s)-{[(2s,3s,4s)-2-amino-1,3,4-trihydroxy-5-(c-hydroxycarbonimidoyloxy)pentylidene]amino}(carboxy)methyl]-3,4-dihydroxyoxolan-2-yl]-4-hydroxy-2-oxopyrimidine-5-carboxylic acid

1-[(2r,3r,4s,5r)-5-[(s)-{[(2s,3s,4s)-2-amino-1,3,4-trihydroxy-5-(c-hydroxycarbonimidoyloxy)pentylidene]amino}(carboxy)methyl]-3,4-dihydroxyoxolan-2-yl]-4-hydroxy-2-oxopyrimidine-5-carboxylic acid

C17H23N5O14 (521.1241458)


   

(7r,10r,17r)-3,7,10,26,28-pentahydroxy-14-methoxy-24-methyl-12,18,20-trioxa-25-azaheptacyclo[15.11.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0²¹,²⁹.0²²,²⁷]nonacosa-1(28),2(15),3,6(11),13,21(29),22,24,26-nonaen-5-one

(7r,10r,17r)-3,7,10,26,28-pentahydroxy-14-methoxy-24-methyl-12,18,20-trioxa-25-azaheptacyclo[15.11.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0²¹,²⁹.0²²,²⁷]nonacosa-1(28),2(15),3,6(11),13,21(29),22,24,26-nonaen-5-one

C27H23NO10 (521.1321898)


   

3-{[(3r,4s,5r,6r)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-1λ⁴-chromen-1-ylium

3-{[(3r,4s,5r,6r)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-1λ⁴-chromen-1-ylium

[C24H25O13]+ (521.12951)


   

(11z)-21,28-dihydroxy-7-methoxy-5-methyl-19,26-dioxo-3-oxa-16-azaheptacyclo[15.12.0.0²,⁴.0²,⁸.0⁴,¹⁵.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(29),6,11,17,20,22,24,27-octaen-9,13-diyne-6-carboxylic acid

(11z)-21,28-dihydroxy-7-methoxy-5-methyl-19,26-dioxo-3-oxa-16-azaheptacyclo[15.12.0.0²,⁴.0²,⁸.0⁴,¹⁵.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(29),6,11,17,20,22,24,27-octaen-9,13-diyne-6-carboxylic acid

C30H19NO8 (521.1110614)