Exact Mass: 561.243466
Exact Mass Matches: 561.243466
Found 172 metabolites which its exact mass value is equals to given mass value 561.243466,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
(-)-rel-(2R,3S,4R,5R,10S,2S)-1-[2,3,4,5-tetrahydro-5,10-dihydroxy-2-(4-methoxyphenyl)-6,8-dimethoxy-3-phenyl-2,5-methano-1-benzoxepin-4-carbonyl]-2-methoxypyrrolidine|ponapensin
(-)-rel-(2R,3S,4R,5R,10S,2S)-1-[2,3,4,5-tetrahydro-5,10-dihydroxy-2-(4-methoxyphenyl)-6,8-dimethoxy-3-phenyl-2,5-methano-1-benzoxepin-4-carbonyl]-2-methoxypyrrolidine|ponapensin
Cys Phe His Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanoic acid
C24H35N9O5S (561.2481740000001)
Cys Phe Arg His
(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoic acid
C24H35N9O5S (561.2481740000001)
Cys His Phe Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-5-carbamimidamidopentanoic acid
C24H35N9O5S (561.2481740000001)
Cys His Arg Phe
(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-3-phenylpropanoic acid
C24H35N9O5S (561.2481740000001)
Cys Arg Phe His
(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid
C24H35N9O5S (561.2481740000001)
Cys Arg His Phe
(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanoic acid
C24H35N9O5S (561.2481740000001)
Asp Glu Ile Trp
(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1S,2S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}butanoic acid
Asp Glu Leu Trp
(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}butanoic acid
Asp Glu Trp Ile
(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanoic acid
Asp Glu Trp Leu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanoic acid
Asp Ile Glu Trp
(4S)-4-[(2S,3S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-methylpentanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid
Asp Ile Trp Glu
(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid
Asp Leu Glu Trp
(4S)-4-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-methylpentanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid
Asp Leu Trp Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid
Asp Trp Glu Ile
(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-3-methylpentanoic acid
Asp Trp Glu Leu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-4-methylpentanoic acid
Asp Trp Ile Glu
(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]pentanedioic acid
Asp Trp Leu Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]pentanedioic acid
Glu Asp Ile Trp
(4S)-4-amino-4-{[(1S)-2-carboxy-1-{[(1S,2S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}ethyl]carbamoyl}butanoic acid
Glu Asp Leu Trp
(4S)-4-amino-4-{[(1S)-2-carboxy-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}butanoic acid
Glu Asp Trp Ile
(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanoic acid
Glu Asp Trp Leu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanoic acid
Glu Glu Glu Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]-5-carbamimidamidopentanoic acid
Glu Glu Arg Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carboxybutanamido]-5-carbamimidamidopentanamido]pentanedioic acid
Glu Glu Val Trp
(4S)-4-[(2S)-2-amino-4-carboxybutanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}butanoic acid
Glu Glu Trp Val
(4S)-4-[(2S)-2-amino-4-carboxybutanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid
Glu Ile Asp Trp
(4S)-4-amino-4-{[(1S,2S)-1-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}ethyl]carbamoyl}-2-methylbutyl]carbamoyl}butanoic acid
Glu Ile Trp Asp
(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid
Glu Leu Asp Trp
(4S)-4-amino-4-{[(1S)-1-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}butanoic acid
Glu Leu Trp Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid
Glu Arg Glu Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-5-carbamimidamidopentanamido]-4-carboxybutanamido]pentanedioic acid
Glu Val Glu Trp
(4S)-4-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-methylbutanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid
Glu Val Trp Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid
Glu Trp Asp Ile
(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-methylpentanoic acid
Glu Trp Asp Leu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-4-methylpentanoic acid
Glu Trp Glu Val
(4S)-4-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}butanoic acid
Glu Trp Ile Asp
(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]butanedioic acid
Glu Trp Leu Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]butanedioic acid
Glu Trp Val Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]pentanedioic acid
Phe Cys His Arg
(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanoic acid
C24H35N9O5S (561.2481740000001)
Phe Cys Arg His
(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoic acid
C24H35N9O5S (561.2481740000001)
Phe His Cys Arg
(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanoic acid
C24H35N9O5S (561.2481740000001)
Phe His Met Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanoic acid
C25H35N7O6S (561.2369410000001)
Phe His Gln Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanoic acid
C25H35N7O6S (561.2369410000001)
Phe His Arg Cys
(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanoic acid
C24H35N9O5S (561.2481740000001)
Phe Met His Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanoic acid
C25H35N7O6S (561.2369410000001)
Phe Met Gln His
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanoic acid
C25H35N7O6S (561.2369410000001)
Phe Gln His Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanoic acid
C25H35N7O6S (561.2369410000001)
Phe Gln Met His
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanoic acid
C25H35N7O6S (561.2369410000001)
Phe Arg Cys His
(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid
C24H35N9O5S (561.2481740000001)
Phe Arg His Cys
(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanoic acid
C24H35N9O5S (561.2481740000001)
Gly His Trp Tyr
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid
Gly His Tyr Trp
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid
Gly Asn Trp Trp
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid
Gly Trp His Tyr
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid
Gly Trp Asn Trp
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanoic acid
Gly Trp Trp Asn
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoic acid
Gly Trp Tyr His
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid
Gly Tyr His Trp
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid
Gly Tyr Trp His
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid
His Cys Phe Arg
(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]-5-carbamimidamidopentanoic acid
C24H35N9O5S (561.2481740000001)
His Cys Arg Phe
(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-3-phenylpropanoic acid
C24H35N9O5S (561.2481740000001)
His Phe Cys Arg
(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanoic acid
C24H35N9O5S (561.2481740000001)
His Phe Met Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanoic acid
C25H35N7O6S (561.2369410000001)
His Phe Gln Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanoic acid
C25H35N7O6S (561.2369410000001)
His Phe Arg Cys
(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanoic acid
C24H35N9O5S (561.2481740000001)
His Gly Trp Tyr
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]acetamido}-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid
His Gly Tyr Trp
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]acetamido}-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid
His Met Phe Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-4-carbamoylbutanoic acid
C25H35N7O6S (561.2369410000001)
His Met Gln Phe
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-3-phenylpropanoic acid
C25H35N7O6S (561.2369410000001)
His Gln Phe Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid
C25H35N7O6S (561.2369410000001)
His Gln Met Phe
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanoic acid
C25H35N7O6S (561.2369410000001)
His Arg Cys Phe
(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-3-phenylpropanoic acid
C24H35N9O5S (561.2481740000001)
His Arg Phe Cys
(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-3-phenylpropanamido]-3-sulfanylpropanoic acid
C24H35N9O5S (561.2481740000001)
His Trp Gly Tyr
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]acetamido}-3-(4-hydroxyphenyl)propanoic acid
His Trp Tyr Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]acetic acid
His Tyr Gly Trp
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-3-(1H-indol-3-yl)propanoic acid
His Tyr Trp Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]acetic acid
Ile Asp Glu Trp
(4S)-4-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-carboxypropanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid
Ile Asp Trp Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid
Ile Glu Asp Trp
(4S)-4-[(2S,3S)-2-amino-3-methylpentanamido]-4-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid
Ile Glu Trp Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid
Ile Trp Asp Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]pentanedioic acid
Ile Trp Glu Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]butanedioic acid
Leu Asp Glu Trp
(4S)-4-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-carboxypropanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid
Leu Asp Trp Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid
Leu Glu Asp Trp
(4S)-4-[(2S)-2-amino-4-methylpentanamido]-4-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid
Leu Glu Trp Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid
Leu Trp Asp Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]pentanedioic acid
Leu Trp Glu Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]butanedioic acid
Met Phe His Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanoic acid
C25H35N7O6S (561.2369410000001)
Met Phe Gln His
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanoic acid
C25H35N7O6S (561.2369410000001)
Met His Phe Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-4-carbamoylbutanoic acid
C25H35N7O6S (561.2369410000001)
Met His Gln Phe
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-3-phenylpropanoic acid
C25H35N7O6S (561.2369410000001)
Met Gln Phe His
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid
C25H35N7O6S (561.2369410000001)
Met Gln His Phe
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanoic acid
C25H35N7O6S (561.2369410000001)
Asn Gly Trp Trp
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-carbamoylpropanamido]acetamido}-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid
Asn Trp Gly Trp
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]acetamido}-3-(1H-indol-3-yl)propanoic acid
Asn Trp Trp Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]acetic acid
Gln Phe His Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanoic acid
C25H35N7O6S (561.2369410000001)
Gln Phe Met His
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanoic acid
C25H35N7O6S (561.2369410000001)
Gln His Phe Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid
C25H35N7O6S (561.2369410000001)
Gln His Met Phe
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanoic acid
C25H35N7O6S (561.2369410000001)
Gln Met Phe His
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid
C25H35N7O6S (561.2369410000001)
Gln Met His Phe
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanoic acid
C25H35N7O6S (561.2369410000001)
Arg Cys Phe His
(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid
C24H35N9O5S (561.2481740000001)
Arg Cys His Phe
(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanoic acid
C24H35N9O5S (561.2481740000001)
Arg Glu Glu Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid
Arg Phe Cys His
(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid
C24H35N9O5S (561.2481740000001)
Arg Phe His Cys
(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanoic acid
C24H35N9O5S (561.2481740000001)
Arg His Cys Phe
(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-phenylpropanoic acid
C24H35N9O5S (561.2481740000001)
Arg His Phe Cys
(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-3-sulfanylpropanoic acid
C24H35N9O5S (561.2481740000001)
Val Glu Glu Trp
(4S)-4-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-carboxybutanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid
Val Glu Trp Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid
Val Trp Glu Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]pentanedioic acid
Trp Asp Glu Ile
(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-4-carboxybutanamido]-3-methylpentanoic acid
Trp Asp Glu Leu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-4-carboxybutanamido]-4-methylpentanoic acid
Trp Asp Ile Glu
(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-methylpentanamido]pentanedioic acid
Trp Asp Leu Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-4-methylpentanamido]pentanedioic acid
Trp Glu Asp Ile
(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-3-carboxypropanamido]-3-methylpentanoic acid
Trp Glu Asp Leu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-3-carboxypropanamido]-4-methylpentanoic acid
Trp Glu Glu Val
(4S)-4-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-4-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}butanoic acid
Trp Glu Ile Asp
(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-3-methylpentanamido]butanedioic acid
Trp Glu Leu Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-4-methylpentanamido]butanedioic acid
Trp Glu Val Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-3-methylbutanamido]pentanedioic acid
Trp Gly His Tyr
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]acetamido}-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid
Trp Gly Asn Trp
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]acetamido}-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanoic acid
Trp Gly Trp Asn
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]acetamido}-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoic acid
Trp Gly Tyr His
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]acetamido}-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid
Trp His Gly Tyr
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]acetamido}-3-(4-hydroxyphenyl)propanoic acid
Trp His Tyr Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]acetic acid
Trp Ile Asp Glu
(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]-3-carboxypropanamido]pentanedioic acid
Trp Ile Glu Asp
(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]-4-carboxybutanamido]butanedioic acid
Trp Leu Asp Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]-3-carboxypropanamido]pentanedioic acid
Trp Leu Glu Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]-4-carboxybutanamido]butanedioic acid
Trp Asn Gly Trp
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]acetamido}-3-(1H-indol-3-yl)propanoic acid
Trp Asn Trp Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]acetic acid
Trp Val Glu Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-4-carboxybutanamido]pentanedioic acid
Trp Trp Gly Asn
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]acetamido}-3-carbamoylpropanoic acid
Trp Trp Asn Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]acetic acid
Trp Tyr Gly His
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-3-(1H-imidazol-4-yl)propanoic acid
Trp Tyr His Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]acetic acid
Tyr Gly His Trp
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid
Tyr Gly Trp His
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid
Tyr His Gly Trp
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]acetamido}-3-(1H-indol-3-yl)propanoic acid
Tyr His Trp Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]acetic acid
Tyr Trp Gly His
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]acetamido}-3-(1H-imidazol-4-yl)propanoic acid
Tyr Trp His Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]acetic acid
Taurolithocholic acid sulfate(2-)
Taurolithocholic acid sulfate(2-)
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
[(2R,3R,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3-hydroxyoxan-4-yl] dihydrogen phosphate
[(2R,3R,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3-hydroxyoxan-4-yl] dihydrogen phosphate
C19H40N5O12P (561.2410970000001)
2-[(2S,4aR,12aS)-8-[(2-fluorophenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,4aR,12aS)-8-[(2-fluorophenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,4aS,12aS)-8-[[(2-fluoroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,4aS,12aS)-8-[[(2-fluoroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2R,4aR,12aS)-8-[(2-fluorophenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2R,4aR,12aS)-8-[(2-fluorophenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,4aS,12aR)-8-[[(2-fluoroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,4aS,12aR)-8-[[(2-fluoroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2R,4aS,12aR)-8-[(2-fluorophenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2R,4aS,12aR)-8-[(2-fluorophenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2R,4aR,12aR)-8-[(2-fluorophenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2R,4aR,12aR)-8-[(2-fluorophenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,4aR,12aR)-8-[[(2-fluoroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,4aR,12aR)-8-[[(2-fluoroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2R,4aS,12aS)-8-[[(2-fluoroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2R,4aS,12aS)-8-[[(2-fluoroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
Taurolithocholic acid sulfate(2-)
Taurolithocholic acid sulfate(2-)
A steroid sulfate oxoanion arising from deprotonation of both sulfo groups of taurolithocholic acid sulfate; major species at pH 7.3.