Exact Mass: 551.208791

Exact Mass Matches: 551.208791

Found 76 metabolites which its exact mass value is equals to given mass value 551.208791, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Astin I

17-chloro-3,13-diethyl-18-hydroxy-6-(hydroxymethyl)-9-phenyl-dodecahydro-2H-pyrrolo[1,2-d]1,4,7,10,13-pentaazacyclohexadecane-1,4,7,11,14-pentone

C25H34ClN5O7 (551.2146644000001)


Astin I is found in fruits. Astin I is a constituent of Actinidia kolomikta (kiwi fruit). Constituent of Actinidia kolomikta (kiwi fruit). Astin I is found in fruits.

   

Simmondsin 2'-ferulate

2-{[(2E)-2-(cyanomethylidene)-3-hydroxy-4,5-dimethoxycyclohexyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

C26H33NO12 (551.2002658000001)


Simmondsin 2-ferulate is found in coffee and coffee products. Simmondsin 2-ferulate is a constituent of the seeds of jojoba Constituent of the seeds of jojoba. Simmondsin 2-ferulate is found in coffee and coffee products, fats and oils, and nuts.

   

4-Hydroxytamoxifen-N-glucuronide

(2R,3R,4R,5S)-3,4,5-trihydroxy-6-{[(2-{4-[(1E)-1-(4-hydroxyphenyl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]oxy}oxane-2-carboxylic acid

C30H33NO9 (551.2155208)


4-Hydroxytamoxifen-N-glucuronide is a metabolite of tamoxifen. Tamoxifen is an antagonist of the estrogen receptor in breast tissue via its active metabolite, hydroxytamoxifen. In other tissues such as the endometrium, it behaves as an agonist, and thus may be characterized as a mixed agonist/antagonist. Tamoxifen is the usual endocrine therapy for hormone receptor-positive breast cancer in pre-menopausal women, and is also a standard in post-menopausal women although aromatase inhibitors are also frequently used in that setting. (Wikipedia)

   

(p-SCN-Bn)-dota

2-[4,7,10-tris(carboxymethyl)-5-[(4-isothiocyanatophenyl)methyl]-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid

C24H33N5O8S (551.2049738000001)


   

Saredutant

N-{1-[3-(3,4-dichlorophenyl)-4-(N-methyl-1-phenylformamido)butyl]-4-phenylpiperidin-4-yl}ethanimidate

C31H35Cl2N3O2 (551.210619)


   
   
   
   

3S-Hydroxyneoharringtonine

3S-Hydroxyneoharringtonine

C30H33NO9 (551.2155208)


   
   

(+)-8beta-(4-hydroxybenzyl)-2-methoxy-10-O-(beta-xylopyranosyl)berbin-3,11-diol|(+)-8beta-<4-hydroxybenzyl>-2-methoxy-10-O-berbin-3,11-diol|O10-beta-Xylopyranoside-8-(4-Hydroxybenzyl)-2-methoxy-3,10,11-berbintriol

(+)-8beta-(4-hydroxybenzyl)-2-methoxy-10-O-(beta-xylopyranosyl)berbin-3,11-diol|(+)-8beta-<4-hydroxybenzyl>-2-methoxy-10-O-berbin-3,11-diol|O10-beta-Xylopyranoside-8-(4-Hydroxybenzyl)-2-methoxy-3,10,11-berbintriol

C30H33NO9 (551.2155208)


   

(+)-8alpha-(4-hydroxybenzyl)-2-methoxy-10-O-(beta-xylopyranosyl)berbin-3,9-diol|(+)-8alpha-<4-hydroxybenzyl>-2-methoxy-10-O-berbin-3,9-diol

(+)-8alpha-(4-hydroxybenzyl)-2-methoxy-10-O-(beta-xylopyranosyl)berbin-3,9-diol|(+)-8alpha-<4-hydroxybenzyl>-2-methoxy-10-O-berbin-3,9-diol

C30H33NO9 (551.2155208)


   
   

Asp Met Thr Trp

(3S)-3-amino-3-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C24H33N5O8S (551.2049738000001)


   

Asp Met Trp Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanoic acid

C24H33N5O8S (551.2049738000001)


   

Asp Thr Met Trp

(3S)-3-amino-3-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propanoic acid

C24H33N5O8S (551.2049738000001)


   

Asp Thr Trp Met

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C24H33N5O8S (551.2049738000001)


   

Asp Trp Met Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanoic acid

C24H33N5O8S (551.2049738000001)


   

Asp Trp Thr Met

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanoic acid

C24H33N5O8S (551.2049738000001)


   

Glu Met Ser Trp

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

C24H33N5O8S (551.2049738000001)


   

Glu Met Trp Ser

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

C24H33N5O8S (551.2049738000001)


   

Glu Ser Met Trp

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

C24H33N5O8S (551.2049738000001)


   

Glu Ser Trp Met

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

C24H33N5O8S (551.2049738000001)


   

Glu Trp Met Ser

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

C24H33N5O8S (551.2049738000001)


   

Glu Trp Ser Met

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

C24H33N5O8S (551.2049738000001)


   

Met Asp Thr Trp

(3S)-3-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-{[(1S,2R)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propanoic acid

C24H33N5O8S (551.2049738000001)


   

Met Asp Trp Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanoic acid

C24H33N5O8S (551.2049738000001)


   

Met Glu Ser Trp

(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butanoic acid

C24H33N5O8S (551.2049738000001)


   

Met Glu Trp Ser

(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C24H33N5O8S (551.2049738000001)


   

Met Ser Glu Trp

(4S)-4-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C24H33N5O8S (551.2049738000001)


   

Met Ser Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C24H33N5O8S (551.2049738000001)


   

Met Thr Asp Trp

(3S)-3-[(2S,3R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C24H33N5O8S (551.2049738000001)


   

Met Thr Trp Asp

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C24H33N5O8S (551.2049738000001)


   

Met Trp Asp Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-hydroxybutanoic acid

C24H33N5O8S (551.2049738000001)


   

Met Trp Glu Ser

(4S)-4-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}butanoic acid

C24H33N5O8S (551.2049738000001)


   

Met Trp Ser Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]pentanedioic acid

C24H33N5O8S (551.2049738000001)


   

Met Trp Thr Asp

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]butanedioic acid

C24H33N5O8S (551.2049738000001)


   

Ser Glu Met Trp

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

C24H33N5O8S (551.2049738000001)


   

Ser Glu Trp Met

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

C24H33N5O8S (551.2049738000001)


   

Ser Met Glu Trp

(4S)-4-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C24H33N5O8S (551.2049738000001)


   

Ser Met Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C24H33N5O8S (551.2049738000001)


   

Ser Trp Glu Met

(4S)-4-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C24H33N5O8S (551.2049738000001)


   

Ser Trp Met Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C24H33N5O8S (551.2049738000001)


   

Thr Asp Met Trp

(3S)-3-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C24H33N5O8S (551.2049738000001)


   

Thr Asp Trp Met

(3S)-3-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C24H33N5O8S (551.2049738000001)


   

Thr Met Asp Trp

(3S)-3-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C24H33N5O8S (551.2049738000001)


   

Thr Met Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C24H33N5O8S (551.2049738000001)


   

Thr Trp Asp Met

(3S)-3-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C24H33N5O8S (551.2049738000001)


   

Thr Trp Met Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

C24H33N5O8S (551.2049738000001)


   

Trp Asp Met Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanoic acid

C24H33N5O8S (551.2049738000001)


   

Trp Asp Thr Met

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanoic acid

C24H33N5O8S (551.2049738000001)


   

Trp Glu Met Ser

(4S)-4-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C24H33N5O8S (551.2049738000001)


   

Trp Glu Ser Met

(4S)-4-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butanoic acid

C24H33N5O8S (551.2049738000001)


   

Trp Met Asp Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-3-hydroxybutanoic acid

C24H33N5O8S (551.2049738000001)


   

Trp Met Glu Ser

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}butanoic acid

C24H33N5O8S (551.2049738000001)


   

Trp Met Ser Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]pentanedioic acid

C24H33N5O8S (551.2049738000001)


   

Trp Met Thr Asp

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]butanedioic acid

C24H33N5O8S (551.2049738000001)


   

Trp Ser Glu Met

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C24H33N5O8S (551.2049738000001)


   

Trp Ser Met Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C24H33N5O8S (551.2049738000001)


   

Trp Thr Asp Met

(3S)-3-[(2S,3R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-3-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C24H33N5O8S (551.2049738000001)


   

Trp Thr Met Asp

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

C24H33N5O8S (551.2049738000001)


   
   

Simmondsin 2'-ferulate

2-{[(2E)-2-(cyanomethylidene)-3-hydroxy-4,5-dimethoxycyclohexyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C26H33NO12 (551.2002658000001)


   
   

N-[4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide

N-[4-(4-Acetamido-4-phenyl-1-piperidinyl)-2-(3,4-dichlorophenyl)b utyl]-N-methylbenzamide

C31H35Cl2N3O2 (551.210619)


   
   
   

Saredutant

Saredutant

C31H35Cl2N3O2 (551.210619)


C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent Saredutant is a selective NK2 receptor antagonist.

   

Enzastaurin Hydrochloride

Enzastaurin Hydrochloride

C32H30ClN5O2 (551.208791)


C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor

   

[(2S,3R,4R,5R,6S)-4-(dimethylamino)-5-hydroxy-6-(1-hydroxy-10,12-dimethoxy-8-methyl-6-oxonaphtho[1,2-c]isochromen-4-yl)-2-methyloxan-3-yl] acetate

[(2S,3R,4R,5R,6S)-4-(dimethylamino)-5-hydroxy-6-(1-hydroxy-10,12-dimethoxy-8-methyl-6-oxonaphtho[1,2-c]isochromen-4-yl)-2-methyloxan-3-yl] acetate

C30H33NO9 (551.2155208)


   

6-[1-[2-[3-(3,4-Dimethoxyphenyl)propanoylamino]ethyl]-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

6-[1-[2-[3-(3,4-Dimethoxyphenyl)propanoylamino]ethyl]-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

C26H33NO12 (551.2002658000001)


   

4-Hydroxytamoxifen-N-glucuronide

4-Hydroxytamoxifen-N-glucuronide

C30H33NO9 (551.2155208)


   
   

DGAT1-IN-1

DGAT1-IN-1

C30H28F3N3O4 (551.2031804000001)


DGAT1-IN-1 is a potent DGAT1 inhibitor with IC50 of < 10 nM(cell lysate from Hep3B cells overexpressing human DGAT1). IC50 value: < 10 nM Target: DGAT1 inhibitor Imidazopyridine and imidazothiazole compounds as inhibitors of diacylglycerol o-acyltransferase type 1 enzyme and their preparation By Kim, Dooseop; Bok, Juhan; Shin, Sunmi From PCT Int. Appl. (2013), WO 2013119040 A1 20130815.

   

[(3s,4r,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl 4-aminobenzoate

[(3s,4r,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl 4-aminobenzoate

C26H33NO12 (551.2002658000001)