Exact Mass: 533.1596

Exact Mass Matches: 533.1596

Found 136 metabolites which its exact mass value is equals to given mass value 533.1596, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

cyclo-Dopa-glucuronylglucoside

cyclo-dopa glucuronosyl glucoside

C21H27NO15 (533.1381)


   

N-(3,4-Dichlorophenyl)-2-{[5-(2,6-dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yl]oxy}acetamide

N-(3,4-dichlorophenyl)-2-{[5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yl]oxy}acetamide

C23H25Cl2N7O4 (533.1345)


   

(2r)-1,1,1-Trifluoro-2-{4-[(2s)-2-{[(3s)-3-Methylmorpholin-4-Yl]methyl}-4-(Thiophen-2-Ylsulfonyl)piperazin-1-Yl]phenyl}propan-2-Ol

(2R)-1,1,1-Trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulphonyl)piperazin-1-yl]phenyl}propan-2-ol

C23H30F3N3O4S2 (533.163)


   

Pelargonidin 3-(6'-succinyl-glucoside)

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

C25H25O13+ (533.1295)


Pelargonidin 3-(6-succinyl-glucoside) 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. Pelargonidin 3-(6-succinyl-glucoside) is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Pelargonidin 3-(6-succinyl-glucoside) can be found in cloudberry, red raspberry, strawberry, and wheat, which makes pelargonidin 3-(6-succinyl-glucoside) a potential biomarker for the consumption of these food products.

   

1-Deoxy-Astin E|astin D

1-Deoxy-Astin E|astin D

C25H32ClN5O6 (533.2041)


   
   

7-[(beta-D-apiofuranosyl-(1?6)-beta-D-glucopyranosyl)oxymethy]-8,8-dimethyl-4,8-dihydrobenzo[1,4]thiazine-3,5-dione

7-[(beta-D-apiofuranosyl-(1?6)-beta-D-glucopyranosyl)oxymethy]-8,8-dimethyl-4,8-dihydrobenzo[1,4]thiazine-3,5-dione

C22H31NO12S (533.1567)


   
   
   

1-O-acetyldesmethylrocaglamide

1-O-acetyldesmethylrocaglamide

C30H31NO8 (533.205)


   

14-Deoxy-12-(cysteine-S-yl)-andrographolide-3-O-sulfate

14-Deoxy-12-(cysteine-S-yl)-andrographolide-3-O-sulfate

C23H35NO9S2 (533.1753)


   

1,2,3,10-Tetramethoxy-9-(2-hydroxy-4,5-dimethoxybenzyloxy)oxoaporphine

1,2,3,10-Tetramethoxy-9-(2-hydroxy-4,5-dimethoxybenzyloxy)oxoaporphine

C29H27NO9 (533.1686)


   
   

4-[5-chloro-7-(3,5-dihydroxyhexanoyloxy)-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]butanoic acid

NCGC00380198-01!4-[5-chloro-7-(3,5-dihydroxyhexanoyloxy)-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]butanoic acid

C27H32ClNO8 (533.1816)


   

Cys Glu Pro Trp

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-5-[(2S)-2-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid

C24H31N5O7S (533.1944)


   

Cys Glu Trp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

C24H31N5O7S (533.1944)


   

Cys Phe His Gln

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

C23H31N7O6S (533.2056)


   

Cys Phe Gln His

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H31N7O6S (533.2056)


   

Cys His Phe Gln

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

C23H31N7O6S (533.2056)


   

Cys His Gln Phe

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

C23H31N7O6S (533.2056)


   

Cys Pro Glu Trp

(4S)-4-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C24H31N5O7S (533.1944)


   

Cys Pro Trp Glu

(2S)-2-[(2S)-2-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C24H31N5O7S (533.1944)


   

Cys Gln Phe His

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H31N7O6S (533.2056)


   

Cys Gln His Phe

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

C23H31N7O6S (533.2056)


   

Cys Trp Glu Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid

C24H31N5O7S (533.1944)


   

Cys Trp Pro Glu

(2S)-2-{[(2S)-1-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}pentanedioic acid

C24H31N5O7S (533.1944)


   

Asp Asp Glu Arg

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

C19H31N7O11 (533.2081)


   

Asp Asp Arg Glu

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

C19H31N7O11 (533.2081)


   

Asp Glu Asp Arg

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

C19H31N7O11 (533.2081)


   

Asp Glu Arg Asp

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

C19H31N7O11 (533.2081)


   

Asp Arg Asp Glu

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

C19H31N7O11 (533.2081)


   

Asp Arg Glu Asp

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

C19H31N7O11 (533.2081)


   

Glu Cys Pro Trp

(4S)-4-amino-4-{[(2R)-1-[(2S)-2-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]carbamoyl}butanoic acid

C24H31N5O7S (533.1944)


   

Glu Cys Trp Pro

(2S)-1-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

C24H31N5O7S (533.1944)


   

Glu Asp Asp Arg

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

C19H31N7O11 (533.2081)


   

Glu Asp Arg Asp

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

C19H31N7O11 (533.2081)


   

Glu Glu Glu Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]-4-carbamoylbutanoic acid

C20H31N5O12 (533.1969)


   

Glu Glu Gln Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carboxybutanamido]-4-carbamoylbutanamido]pentanedioic acid

C20H31N5O12 (533.1969)


   

Glu Pro Cys Trp

(4S)-4-amino-5-[(2S)-2-{[(1R)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid

C24H31N5O7S (533.1944)


   

Glu Pro Trp Cys

(4S)-4-amino-5-[(2S)-2-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid

C24H31N5O7S (533.1944)


   

Glu Gln Glu Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carbamoylbutanamido]-4-carboxybutanamido]pentanedioic acid

C20H31N5O12 (533.1969)


   

Glu Arg Asp Asp

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

C19H31N7O11 (533.2081)


   

Glu Trp Cys Pro

(2S)-1-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

C24H31N5O7S (533.1944)


   

Glu Trp Pro Cys

(4S)-4-amino-4-{[(2S)-1-[(2S)-2-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl}butanoic acid

C24H31N5O7S (533.1944)


   

Phe Cys His Gln

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

C23H31N7O6S (533.2056)


   

Phe Cys Gln His

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H31N7O6S (533.2056)


   

Phe His Cys Gln

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

C23H31N7O6S (533.2056)


   

Phe His Gln Cys

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

C23H31N7O6S (533.2056)


   

Phe Gln Cys His

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H31N7O6S (533.2056)


   

Phe Gln His Cys

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

C23H31N7O6S (533.2056)


   

His Cys Phe Gln

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

C23H31N7O6S (533.2056)


   

His Cys Gln Phe

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

C23H31N7O6S (533.2056)


   

His Phe Cys Gln

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

C23H31N7O6S (533.2056)


   

His Phe Gln Cys

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

C23H31N7O6S (533.2056)


   

His Gln Cys Phe

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

C23H31N7O6S (533.2056)


   

His Gln Phe Cys

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

C23H31N7O6S (533.2056)


   

Pro Cys Glu Trp

(4S)-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-4-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanamido]butanoic acid

C24H31N5O7S (533.1944)


   

Pro Cys Trp Glu

(2S)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanamido]propanamido]pentanedioic acid

C24H31N5O7S (533.1944)


   

Pro Glu Cys Trp

(4S)-4-{[(1R)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-4-[(2S)-pyrrolidin-2-ylformamido]butanoic acid

C24H31N5O7S (533.1944)


   

Pro Glu Trp Cys

(4S)-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-4-[(2S)-pyrrolidin-2-ylformamido]butanoic acid

C24H31N5O7S (533.1944)


   

Pro Trp Cys Glu

(2S)-2-[(2R)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-sulfanylpropanamido]pentanedioic acid

C24H31N5O7S (533.1944)


   

Pro Trp Glu Cys

(4S)-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-4-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]butanoic acid

C24H31N5O7S (533.1944)


   

Gln Cys Phe His

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H31N7O6S (533.2056)


   

Gln Cys His Phe

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

C23H31N7O6S (533.2056)


   

Gln Glu Glu Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid

C20H31N5O12 (533.1969)


   

Gln Phe Cys His

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C23H31N7O6S (533.2056)


   

Gln Phe His Cys

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

C23H31N7O6S (533.2056)


   

Gln His Cys Phe

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

C23H31N7O6S (533.2056)


   

Gln His Phe Cys

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

C23H31N7O6S (533.2056)


   

Arg Asp Asp Glu

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

C19H31N7O11 (533.2081)


   

Arg Asp Glu Asp

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

C19H31N7O11 (533.2081)


   

Arg Glu Asp Asp

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

C19H31N7O11 (533.2081)


   

Trp Cys Glu Pro

(2S)-1-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid

C24H31N5O7S (533.1944)


   

Trp Cys Pro Glu

(2S)-2-{[(2S)-1-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}pentanedioic acid

C24H31N5O7S (533.1944)


   

Trp Glu Cys Pro

(2S)-1-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

C24H31N5O7S (533.1944)


   

Trp Glu Pro Cys

(4S)-4-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-[(2S)-2-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid

C24H31N5O7S (533.1944)


   

Trp Pro Cys Glu

(2S)-2-[(2R)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]pentanedioic acid

C24H31N5O7S (533.1944)


   

Trp Pro Glu Cys

(4S)-4-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C24H31N5O7S (533.1944)


   

JWH 018 N-(5-hydroxypentyl) β-D-Glucuronide

JWH 018 N-(5-hydroxypentyl) β-D-Glucuronide

C30H31NO8 (533.205)


   

Ethyl 1-(2-chlorophenyl)-5-(4-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)c arbonyl]-1-piperazinyl}phenyl)-1H-pyrazole-3-carboxylate

Ethyl 1-(2-chlorophenyl)-5-(4-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)c arbonyl]-1-piperazinyl}phenyl)-1H-pyrazole-3-carboxylate

C28H28ClN5O4 (533.183)


   

Ac-Asp-Met-Gln-Asp-aldehyde

Ac-Asp-Met-Gln-Asp-aldehyde

C20H31N5O10S (533.1792)


   

N-acetylneuraminic Acid Methyl Ester 2,4,7,8,9-Pentaacetate

N-acetylneuraminic Acid Methyl Ester 2,4,7,8,9-Pentaacetate

C22H31NO14 (533.1744)


   
   

Disperse Red 135

Disperse Red 135

C27H27N5O7 (533.191)


   

Idarubicin hydrochloride

Idarubicin (hydrochloride)

C26H28ClNO9 (533.1453)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D004791 - Enzyme Inhibitors Idarubicin hydrochloride is an anthracycline antileukemic agent. It inhibits the topoisomerase II interfering with the replication of DNA and RNA transcription. Idarubicin hydrochloride inhibits the growth of bacteria and yeasts.

   

N-{2-[4-({3-Chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H -pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-2-hydroxy-2-methylpropanamid e

N-{2-[4-({3-Chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H -pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-2-hydroxy-2-methylpropanamid e

C25H23ClF3N5O3 (533.1441)


   

fmoc-d-asp-ofm

fmoc-d-asp-ofm

C33H27NO6 (533.1838)


   

Melphalan flufenamide hydrochloride

Melphalan flufenamide hydrochloride

C24H31Cl3FN3O3 (533.1415)


D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor

   

Dasabuvir sodium hydrate

Dasabuvir sodium hydrate

C26H28N3NaO6S (533.1596)


   

((4-((4-Amino-m-tolyl)(4-(phenylimino)cyclohexa-2,5-dien-1-ylidene)methyl)phenyl)amino)benzenesulphonic acid

((4-((4-Amino-m-tolyl)(4-(phenylimino)cyclohexa-2,5-dien-1-ylidene)methyl)phenyl)amino)benzenesulphonic acid

C32H27N3O3S (533.1773)


   

Tryptophyl adenylate

Tryptophyl adenylate

C21H24N7O8P (533.1424)


   

JWH 018 N-(5-hydroxypentyl) beta-D-Glucuronide

JWH 018 N-(5-hydroxypentyl) beta-D-Glucuronide

C30H31NO8 (533.205)


   

2-Cyclohexyl-N-(2-{4-[5-(2,3-dichloro-phenyl)-2H-pyrazol-3-YL]-piperidin-1-YL}-2-oxo-ethyl)-2-guanidino-acetamide

2-Cyclohexyl-N-(2-{4-[5-(2,3-dichloro-phenyl)-2H-pyrazol-3-YL]-piperidin-1-YL}-2-oxo-ethyl)-2-guanidino-acetamide

C25H33Cl2N7O2 (533.2073)


   

Tryptophanyl-5AMP

Tryptophanyl-5AMP

C21H24N7O8P (533.1424)


   

(2r)-1,1,1-Trifluoro-2-{4-[(2s)-2-{[(3s)-3-Methylmorpholin-4-Yl]methyl}-4-(Thiophen-2-Ylsulfonyl)piperazin-1-Yl]phenyl}propan-2-Ol

(2R)-1,1,1-Trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulphonyl)piperazin-1-yl]phenyl}propan-2-ol

C23H30F3N3O4S2 (533.163)


   

(L-tryptophanyl)adenylate

(L-tryptophanyl)adenylate

C21H24N7O8P (533.1424)


   

(-)-latifolian A trifluoroacetate

(-)-latifolian A trifluoroacetate

C26H22F3NO8 (533.1297)


A natural product found in Gnetum montanum.

   

[2-[2-(4-Fluorophenyl)ethylamino]-2-oxoethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate

[2-[2-(4-Fluorophenyl)ethylamino]-2-oxoethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate

C26H32FN3O6S (533.1996)


   

[4-[Bis(4-morpholinyl)phosphoryl]-1-methyl-2-pyrrolyl]-bis(4-morpholinyl)-sulfanylidenephosphorane

[4-[Bis(4-morpholinyl)phosphoryl]-1-methyl-2-pyrrolyl]-bis(4-morpholinyl)-sulfanylidenephosphorane

C21H37N5O5P2S (533.1991)


   

N-Benzoyl-N-(18-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)benzamide

N-Benzoyl-N-(18-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)benzamide

C35H23N3O3 (533.1739)


   

N-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide

N-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide

C26H32FN3O6S (533.1996)


   

gammaGluCys(IAN)Glu

gammaGluCys(IAN)Glu

C23H27N5O8S (533.158)


A tripeptide that consists of L-gamma-glutamyl-L-cysteinyl-L-glutamic acid in which the the cysteine side chain is substituted by a cyano(indol-3-yl)methyl group.

   

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

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

C27H33Cl2N3O4 (533.1848)


   

N-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide

N-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide

C26H32FN3O6S (533.1996)


   

N-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide

N-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide

C26H32FN3O6S (533.1996)


   

N-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide

N-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide

C26H32FN3O6S (533.1996)


   

N-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide

N-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide

C26H32FN3O6S (533.1996)


   

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

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

C26H32FN3O6S (533.1996)


   

N-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide

N-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide

C26H32FN3O6S (533.1996)


   

N-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide

N-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide

C26H32FN3O6S (533.1996)


   

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

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

C26H32FN3O6S (533.1996)


   

(2S,3S,4S,5R)-6-[3-[(4-acetamidophenyl)sulfonylamino]-2-phenylpyrazol-1-ium-1-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid

(2S,3S,4S,5R)-6-[3-[(4-acetamidophenyl)sulfonylamino]-2-phenylpyrazol-1-ium-1-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid

C23H25N4O9S+ (533.1342)


   

6-[4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]-C-hydroxycarbonimidoyl}eth-1-en-1-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

6-[4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]-C-hydroxycarbonimidoyl}eth-1-en-1-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C26H31NO11 (533.1897)


   

(7R,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride

(7R,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride

C26H28ClNO9 (533.1453)


   

4-[5-chloro-7-(3,5-dihydroxyhexanoyloxy)-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]butanoic acid

4-[5-chloro-7-(3,5-dihydroxyhexanoyloxy)-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]butanoic acid

C27H32ClNO8 (533.1816)


   

Idarubicin hydrochloride

Idarubicin (hydrochloride)

C26H27NO9.HCl (533.1453)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D004791 - Enzyme Inhibitors Idarubicin hydrochloride is an anthracycline antileukemic agent. It inhibits the topoisomerase II interfering with the replication of DNA and RNA transcription. Idarubicin hydrochloride inhibits the growth of bacteria and yeasts.

   

3-L-tryptophyl-AMP

3-L-tryptophyl-AMP

C21H24N7O8P (533.1424)


An L-tryptophan derivative that is the ester obtained by formal condensation of the carboxy group of L-tryptophan with the 3-hydroxy group of AMP.

   

(L-Tryptophyl)adenylate

(L-Tryptophyl)adenylate

C21H24N7O8P (533.1424)


   
   

(15e)-5,8,18,21-tetrahydroxy-6-isopropyl-20-[2-(methylsulfanyl)ethyl]-2-oxa-11,12-dithia-7,19,22-triazabicyclo[7.7.6]docosa-7,15,18,21-tetraen-3-one

(15e)-5,8,18,21-tetrahydroxy-6-isopropyl-20-[2-(methylsulfanyl)ethyl]-2-oxa-11,12-dithia-7,19,22-triazabicyclo[7.7.6]docosa-7,15,18,21-tetraen-3-one

C22H35N3O6S3 (533.1688)


   

(3s,6s,9r,13s,18as)-16-chloro-3,13-diethyl-1,4,7,11-tetrahydroxy-6-(hydroxymethyl)-9-phenyl-3h,6h,9h,10h,13h,18h,18ah-pyrrolo[1,2-d]1,4,7,10,13-pentaazacyclohexadecan-14-one

(3s,6s,9r,13s,18as)-16-chloro-3,13-diethyl-1,4,7,11-tetrahydroxy-6-(hydroxymethyl)-9-phenyl-3h,6h,9h,10h,13h,18h,18ah-pyrrolo[1,2-d]1,4,7,10,13-pentaazacyclohexadecan-14-one

C25H32ClN5O6 (533.2041)


   

(2s)-2-{[(2r)-2-{[(4s)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-3-{[cyano(1h-indol-3-yl)methyl]sulfanyl}-1-hydroxypropylidene]amino}pentanedioic acid

(2s)-2-{[(2r)-2-{[(4s)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-3-{[cyano(1h-indol-3-yl)methyl]sulfanyl}-1-hydroxypropylidene]amino}pentanedioic acid

C23H27N5O8S (533.158)


   

(9as,10r,13s,13as)-10,13,15,16-tetrahydroxy-8-methoxy-2-methyl-3-(sec-butyl)-6,7,9a,10,13,13a-hexahydro-9-oxa-2-azahexaphene-1,14-dione

(9as,10r,13s,13as)-10,13,15,16-tetrahydroxy-8-methoxy-2-methyl-3-(sec-butyl)-6,7,9a,10,13,13a-hexahydro-9-oxa-2-azahexaphene-1,14-dione

C30H31NO8 (533.205)


   

astin D

astin d

C25H32ClN5O6 (533.2041)


{"Ingredient_id": "HBIN017204","Ingredient_name": "astin D","Alias": "astin d","Ingredient_formula": "C25H32ClN5O6","Ingredient_Smile": "CCC(C(=O)NC(CO)C(=O)NC(CC(=O)NC(CC)C(=O)O)C1=CC=CC=C1)NC(=O)C2=CC=CN2","Ingredient_weight": "534","OB_score": "52.77764408","CAS_id": "153125-15-6","SymMap_id": "SMIT11507;SMIT14403","TCMID_id": "1932","TCMSP_id": "MOL010456","TCM_ID_id": "6548","PubChem_id": "NA","DrugBank_id": "NA"}

   

(2s)-5-hydroxy-1-[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroindole-2-carboxylic acid

(2s)-5-hydroxy-1-[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroindole-2-carboxylic acid

C25H27NO12 (533.1533)


   

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

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

[C25H25O13]+ (533.1295)


   

16-chloro-3,13-diethyl-1,4,7,11-tetrahydroxy-6-(hydroxymethyl)-9-phenyl-3h,6h,9h,10h,13h,18h,18ah-pyrrolo[1,2-d]1,4,7,10,13-pentaazacyclohexadecan-14-one

16-chloro-3,13-diethyl-1,4,7,11-tetrahydroxy-6-(hydroxymethyl)-9-phenyl-3h,6h,9h,10h,13h,18h,18ah-pyrrolo[1,2-d]1,4,7,10,13-pentaazacyclohexadecan-14-one

C25H32ClN5O6 (533.2041)


   

(2s,3s,4s,5s,6r)-3-(acetyloxy)-2-hydroxy-10,12-dimethoxy-6-(4-methoxyphenyl)-n-methyl-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboximidic acid

(2s,3s,4s,5s,6r)-3-(acetyloxy)-2-hydroxy-10,12-dimethoxy-6-(4-methoxyphenyl)-n-methyl-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboximidic acid

C30H31NO8 (533.205)


   

5,8,18,21-tetrahydroxy-6-isopropyl-20-[2-(methylsulfanyl)ethyl]-2-oxa-11,12-dithia-7,19,22-triazabicyclo[7.7.6]docosa-7,15,18,21-tetraen-3-one

5,8,18,21-tetrahydroxy-6-isopropyl-20-[2-(methylsulfanyl)ethyl]-2-oxa-11,12-dithia-7,19,22-triazabicyclo[7.7.6]docosa-7,15,18,21-tetraen-3-one

C22H35N3O6S3 (533.1688)


   

5-hydroxy-1-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroindole-2-carboxylic acid

5-hydroxy-1-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroindole-2-carboxylic acid

C25H27NO12 (533.1533)


   

(2s,3r,4r,5s,6r)-3-(acetyloxy)-2-hydroxy-10,12-dimethoxy-6-(4-methoxyphenyl)-n-methyl-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboximidic acid

(2s,3r,4r,5s,6r)-3-(acetyloxy)-2-hydroxy-10,12-dimethoxy-6-(4-methoxyphenyl)-n-methyl-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboximidic acid

C30H31NO8 (533.205)


   

10,13,15,16-tetrahydroxy-8-methoxy-2-methyl-3-(sec-butyl)-6,7,9a,10,13,13a-hexahydro-9-oxa-2-azahexaphene-1,14-dione

10,13,15,16-tetrahydroxy-8-methoxy-2-methyl-3-(sec-butyl)-6,7,9a,10,13,13a-hexahydro-9-oxa-2-azahexaphene-1,14-dione

C30H31NO8 (533.205)


   

4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),2,4,13,15(19)-pentaen-3-yl 1-methyl 3-benzyl-3-hydroxybutanedioate

4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),2,4,13,15(19)-pentaen-3-yl 1-methyl 3-benzyl-3-hydroxybutanedioate

C30H31NO8 (533.205)


   

3-(acetyloxy)-2-hydroxy-10,12-dimethoxy-6-(4-methoxyphenyl)-n-methyl-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboximidic acid

3-(acetyloxy)-2-hydroxy-10,12-dimethoxy-6-(4-methoxyphenyl)-n-methyl-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboximidic acid

C30H31NO8 (533.205)