Exact Mass: 561.2429958

Exact Mass Matches: 561.2429958

Found 69 metabolites which its exact mass value is equals to given mass value 561.2429958, within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error 0.0002 dalton.

delta(2,4)-Pro-allo-thr-ser-betaphe-allo-throme

C26H35N5O9 (561.243466)

C26H35N5O9

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

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

C26H35N5O9 (561.243466)

Taurolithocholic acid sulfate(2-)

C26H43NO8S2-2 (561.2429958)

D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids

Taurolithocholic acid sulfate(2-)

C26H43NO8S2 (561.2429958)

A steroid sulfate oxoanion arising from deprotonation of both sulfo groups of taurolithocholic acid sulfate; major species at pH 7.3.

3-hydroxy-n-[2-hydroxy-1-({1-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)-c-hydroxycarbonimidoyl]-2-phenylethyl}-c-hydroxycarbonimidoyl)ethyl]-2-(1h-pyrrol-2-ylformamido)butanimidic acid

C26H35N5O9 (561.243466)

(2s,3s)-3-hydroxy-n-[(1s)-2-hydroxy-1-{[(1s)-1-{[(2s,3s)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]-c-hydroxycarbonimidoyl}-2-phenylethyl]-c-hydroxycarbonimidoyl}ethyl]-2-(1h-pyrrol-2-ylformamido)butanimidic acid

(2s,3s)-3-hydroxy-n-[(1s)-2-hydroxy-1-{[(1s)-1-{[(2s,3s)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]-c-hydroxycarbonimidoyl}-2-phenylethyl]-c-hydroxycarbonimidoyl}ethyl]-2-(1h-pyrrol-2-ylformamido)butanimidic acid

C26H35N5O9 (561.243466)

(2s,3s)-3-hydroxy-n-[(1s)-2-hydroxy-1-{[(1r)-2-{[(2s,3s)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]-c-hydroxycarbonimidoyl}-1-phenylethyl]-c-hydroxycarbonimidoyl}ethyl]-2-(1h-pyrrol-2-ylformamido)butanimidic acid

(2s,3s)-3-hydroxy-n-[(1s)-2-hydroxy-1-{[(1r)-2-{[(2s,3s)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]-c-hydroxycarbonimidoyl}-1-phenylethyl]-c-hydroxycarbonimidoyl}ethyl]-2-(1h-pyrrol-2-ylformamido)butanimidic acid

C26H35N5O9 (561.243466)

3-hydroxy-n-[2-hydroxy-1-({2-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)-c-hydroxycarbonimidoyl]-1-phenylethyl}-c-hydroxycarbonimidoyl)ethyl]-2-(1h-pyrrol-2-ylformamido)butanimidic acid

C26H35N5O9 (561.243466)

(2s,3s)-3-hydroxy-n-[(1s)-2-hydroxy-1-{[(1s)-2-{[(2s,3s)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]-c-hydroxycarbonimidoyl}-1-phenylethyl]-c-hydroxycarbonimidoyl}ethyl]-2-(1h-pyrrol-2-ylformamido)butanimidic acid

(2s,3s)-3-hydroxy-n-[(1s)-2-hydroxy-1-{[(1s)-2-{[(2s,3s)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]-c-hydroxycarbonimidoyl}-1-phenylethyl]-c-hydroxycarbonimidoyl}ethyl]-2-(1h-pyrrol-2-ylformamido)butanimidic acid

C26H35N5O9 (561.243466)