Exact Mass: 551.1722128
Exact Mass Matches: 551.1722128
Found 164 metabolites which its exact mass value is equals to given mass value 551.1722128
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bosentan
C27H29N5O6S (551.1838454000001)
Bosentan is a dual endothelin receptor antagonist important in the treatment of pulmonary artery hypertension (PAH). It is licensed in the United States, the European Union and other countries by Actelion Pharmaceuticals for the management of PAH under the trade name Tracleer®. Bosentan is used to treat pulmonary hypertension by blocking the action of endothelin molecules that would otherwise promote narrowing of the blood vessels and lead to high blood pressure. C - Cardiovascular system > C02 - Antihypertensives > C02K - Other antihypertensives > C02KX - Antihypertensives for pulmonary arterial hypertension D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D065128 - Endothelin Receptor Antagonists C28313 - Endothelin Receptor Antagonist Bosentan is a competitive and dual antagonist of endothelin-1 (ET) for the ETA and ETB receptors with Ki of 4.7 nM and 95 nM in human SMC, respectively.
Astin I
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
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.
Haloperidol glucuronide
Haloperidol glucuronide is a metabolite of haloperidol. Haloperidol is a typical antipsychotic. It is in the butyrophenone class of antipsychotic medications and has pharmacological effects similar to the phenothiazines. Haloperidol is an older antipsychotic used in the treatment of schizophrenia and acute psychotic states and delirium. (Wikipedia)
4-Hydroxytamoxifen-N-glucuronide
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
C24H33N5O8S (551.2049738000001)
Saredutant
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol
6-(alpha-d-glucosaminyl)-1-phosphatidyl-1d-myo-inositol is soluble (in water) and a moderately acidic compound (based on its pKa). 6-(alpha-d-glucosaminyl)-1-phosphatidyl-1d-myo-inositol can be found in a number of food items such as japanese chestnut, european plum, yellow pond-lily, and turnip, which makes 6-(alpha-d-glucosaminyl)-1-phosphatidyl-1d-myo-inositol a potential biomarker for the consumption of these food products.
(+)-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
(+)-8alpha-(4-hydroxybenzyl)-2-methoxy-10-O-(beta-xylopyranosyl)berbin-3,9-diol|(+)-8alpha-<4-hydroxybenzyl>-2-methoxy-10-O-berbin-3,9-diol
Bosentan
C27H29N5O6S (551.1838454000001)
C - Cardiovascular system > C02 - Antihypertensives > C02K - Other antihypertensives > C02KX - Antihypertensives for pulmonary arterial hypertension D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D065128 - Endothelin Receptor Antagonists C28313 - Endothelin Receptor Antagonist CONFIDENCE standard compound; INTERNAL_ID 2738 CONFIDENCE standard compound; INTERNAL_ID 8515 Bosentan is a competitive and dual antagonist of endothelin-1 (ET) for the ETA and ETB receptors with Ki of 4.7 nM and 95 nM in human SMC, respectively.
Cys Asp Glu Trp
C23H29N5O9S (551.1685904000001)
Cys Asp Trp Glu
C23H29N5O9S (551.1685904000001)
Cys Glu Asp Trp
C23H29N5O9S (551.1685904000001)
Cys Glu Trp Asp
C23H29N5O9S (551.1685904000001)
Cys Phe Pro Trp
C28H33N5O5S (551.2202288000001)
Cys Phe Trp Pro
C28H33N5O5S (551.2202288000001)
Cys Pro Phe Trp
C28H33N5O5S (551.2202288000001)
Cys Pro Trp Phe
C28H33N5O5S (551.2202288000001)
Cys Trp Asp Glu
C23H29N5O9S (551.1685904000001)
Cys Trp Glu Asp
C23H29N5O9S (551.1685904000001)
Cys Trp Phe Pro
C28H33N5O5S (551.2202288000001)
Cys Trp Pro Phe
C28H33N5O5S (551.2202288000001)
Asp Cys Glu Trp
C23H29N5O9S (551.1685904000001)
Asp Cys Trp Glu
C23H29N5O9S (551.1685904000001)
Asp Glu Cys Trp
C23H29N5O9S (551.1685904000001)
Asp Glu Trp Cys
C23H29N5O9S (551.1685904000001)
Asp Met Met Arg
Asp Met Arg Met
Asp Met Thr Trp
C24H33N5O8S (551.2049738000001)
Asp Met Trp Thr
C24H33N5O8S (551.2049738000001)
Asp Arg Met Met
Asp Thr Met Trp
C24H33N5O8S (551.2049738000001)
Asp Thr Trp Met
C24H33N5O8S (551.2049738000001)
Asp Trp Cys Glu
C23H29N5O9S (551.1685904000001)
Asp Trp Glu Cys
C23H29N5O9S (551.1685904000001)
Asp Trp Met Thr
C24H33N5O8S (551.2049738000001)
Asp Trp Thr Met
C24H33N5O8S (551.2049738000001)
Glu Cys Asp Trp
C23H29N5O9S (551.1685904000001)
Glu Cys Trp Asp
C23H29N5O9S (551.1685904000001)
Glu Asp Cys Trp
C23H29N5O9S (551.1685904000001)
Glu Asp Trp Cys
C23H29N5O9S (551.1685904000001)
Glu Met Ser Trp
C24H33N5O8S (551.2049738000001)
Glu Met Trp Ser
C24H33N5O8S (551.2049738000001)
Glu Ser Met Trp
C24H33N5O8S (551.2049738000001)
Glu Ser Trp Met
C24H33N5O8S (551.2049738000001)
Glu Trp Cys Asp
C23H29N5O9S (551.1685904000001)
Glu Trp Asp Cys
C23H29N5O9S (551.1685904000001)
Glu Trp Met Ser
C24H33N5O8S (551.2049738000001)
Glu Trp Ser Met
C24H33N5O8S (551.2049738000001)
Phe Cys Pro Trp
C28H33N5O5S (551.2202288000001)
Phe Cys Trp Pro
C28H33N5O5S (551.2202288000001)
Phe Pro Cys Trp
C28H33N5O5S (551.2202288000001)
Phe Pro Trp Cys
C28H33N5O5S (551.2202288000001)
Phe Trp Cys Pro
C28H33N5O5S (551.2202288000001)
Phe Trp Pro Cys
C28H33N5O5S (551.2202288000001)
Met Asp Met Arg
Met Asp Arg Met
Met Asp Thr Trp
C24H33N5O8S (551.2049738000001)
Met Asp Trp Thr
C24H33N5O8S (551.2049738000001)
Met Glu Ser Trp
C24H33N5O8S (551.2049738000001)
Met Glu Trp Ser
C24H33N5O8S (551.2049738000001)
Met Met Asp Arg
Met Met Arg Asp
Met Arg Asp Met
Met Arg Met Asp
Met Ser Glu Trp
C24H33N5O8S (551.2049738000001)
Met Ser Trp Glu
C24H33N5O8S (551.2049738000001)
Met Thr Asp Trp
C24H33N5O8S (551.2049738000001)
Met Thr Trp Asp
C24H33N5O8S (551.2049738000001)
Met Trp Asp Thr
C24H33N5O8S (551.2049738000001)
Met Trp Glu Ser
C24H33N5O8S (551.2049738000001)
Met Trp Ser Glu
C24H33N5O8S (551.2049738000001)
Met Trp Thr Asp
C24H33N5O8S (551.2049738000001)
Pro Cys Phe Trp
C28H33N5O5S (551.2202288000001)
Pro Cys Trp Phe
C28H33N5O5S (551.2202288000001)
Pro Phe Cys Trp
C28H33N5O5S (551.2202288000001)
Pro Phe Trp Cys
C28H33N5O5S (551.2202288000001)
Pro Trp Cys Phe
C28H33N5O5S (551.2202288000001)
Pro Trp Phe Cys
C28H33N5O5S (551.2202288000001)
Arg Asp Met Met
Arg Met Asp Met
Arg Met Met Asp
Ser Glu Met Trp
C24H33N5O8S (551.2049738000001)
Ser Glu Trp Met
C24H33N5O8S (551.2049738000001)
Ser Met Glu Trp
C24H33N5O8S (551.2049738000001)
Ser Met Trp Glu
C24H33N5O8S (551.2049738000001)
Ser Trp Glu Met
C24H33N5O8S (551.2049738000001)
Ser Trp Met Glu
C24H33N5O8S (551.2049738000001)
Thr Asp Met Trp
C24H33N5O8S (551.2049738000001)
Thr Asp Trp Met
C24H33N5O8S (551.2049738000001)
Thr Met Asp Trp
C24H33N5O8S (551.2049738000001)
Thr Met Trp Asp
C24H33N5O8S (551.2049738000001)
Thr Trp Asp Met
C24H33N5O8S (551.2049738000001)
Thr Trp Met Asp
C24H33N5O8S (551.2049738000001)
Trp Cys Asp Glu
C23H29N5O9S (551.1685904000001)
Trp Cys Glu Asp
C23H29N5O9S (551.1685904000001)
Trp Cys Phe Pro
C28H33N5O5S (551.2202288000001)
Trp Cys Pro Phe
C28H33N5O5S (551.2202288000001)
Trp Asp Cys Glu
C23H29N5O9S (551.1685904000001)
Trp Asp Glu Cys
C23H29N5O9S (551.1685904000001)
Trp Asp Met Thr
C24H33N5O8S (551.2049738000001)
Trp Asp Thr Met
C24H33N5O8S (551.2049738000001)
Trp Glu Cys Asp
C23H29N5O9S (551.1685904000001)
Trp Glu Asp Cys
C23H29N5O9S (551.1685904000001)
Trp Glu Met Ser
C24H33N5O8S (551.2049738000001)
Trp Glu Ser Met
C24H33N5O8S (551.2049738000001)
Trp Phe Cys Pro
C28H33N5O5S (551.2202288000001)
Trp Phe Pro Cys
C28H33N5O5S (551.2202288000001)
Trp Met Asp Thr
C24H33N5O8S (551.2049738000001)
Trp Met Glu Ser
C24H33N5O8S (551.2049738000001)
Trp Met Ser Glu
C24H33N5O8S (551.2049738000001)
Trp Met Thr Asp
C24H33N5O8S (551.2049738000001)
Trp Pro Cys Phe
C28H33N5O5S (551.2202288000001)
Trp Pro Phe Cys
C28H33N5O5S (551.2202288000001)
Trp Ser Glu Met
C24H33N5O8S (551.2049738000001)
Trp Ser Met Glu
C24H33N5O8S (551.2049738000001)
Trp Thr Asp Met
C24H33N5O8S (551.2049738000001)
Trp Thr Met Asp
C24H33N5O8S (551.2049738000001)
benzyl 4-(1,3-dioxoisoindolin-2-yl)-2,2-dimethyl-3,5-dioxo-2,3,4,5-tetrahydro-3H-spiro[furan-2,9-imidazo[1,2-a]indole]-1(9aH)-carboxylate
C31H25N3O7 (551.1692419999999)
Simmondsin 2'-ferulate
C26H33NO12 (551.2002658000001)
TERT-BUTYL 4-(6-((5-(2-(7-CHLORO-1H-INDOL-4-YL)VINYL)THIAZOL-2-YL)AMINO)-2-METHYLPYRIMIDIN-4-YL)PIPERAZINE-1-CARBOXYLATE
C27H30ClN7O2S (551.1870110000001)
3-hydroxy-4-[[2-methoxy-5-[(phenylmethyl)sulfonyl]phenyl]azo]-N-phenyl-2-Naphthalenecarboxamide
N-[4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
2-Oxazolidinone, 3-[6-[2-[(2,6-dichlorophenyl)Methoxy]ethoxy]hexyl]-5-(2,2-dimethyl-4H-1, 3-benzodioxin-6-yl)-, (5R)-
4,6-Bis(diphenylphosphino)-10H-phenoxazine
C36H27NOP2 (551.1567792000001)
N,N-Bis([1,1-biphenyl]-4-yl)-4-bromo-[1,1-biphenyl]-4-amine
Saredutant
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent Saredutant is a selective NK2 receptor antagonist.
Thiothixene dihydrochloride dihydrate
C23H35Cl2N3O4S2 (551.1445930000001)
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
Enzastaurin Hydrochloride
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol
6-(alpha-d-glucosaminyl)-1-phosphatidyl-1d-myo-inositol is soluble (in water) and a moderately acidic compound (based on its pKa). 6-(alpha-d-glucosaminyl)-1-phosphatidyl-1d-myo-inositol can be found in a number of food items such as japanese chestnut, european plum, yellow pond-lily, and turnip, which makes 6-(alpha-d-glucosaminyl)-1-phosphatidyl-1d-myo-inositol a potential biomarker for the consumption of these food products. 6-(α-d-glucosaminyl)-1-phosphatidyl-1d-myo-inositol is soluble (in water) and a moderately acidic compound (based on its pKa). 6-(α-d-glucosaminyl)-1-phosphatidyl-1d-myo-inositol can be found in a number of food items such as japanese chestnut, european plum, yellow pond-lily, and turnip, which makes 6-(α-d-glucosaminyl)-1-phosphatidyl-1d-myo-inositol a potential biomarker for the consumption of these food products.
gamma-Glu-Cys-gamma-Glu-Cys-beta-Ala
C19H29N5O10S2-2 (551.1355774000001)
[(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
7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-[(4-carbamoyl-1-azoniabicyclo[2.2.2]octan-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C21H27N8O6S2+ (551.1494902000001)
(4E)-4-[2-[2-carboxy-6-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic 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)
(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-[(4-carbamoyl-1-azoniabicyclo[2.2.2]octan-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C21H27N8O6S2+ (551.1494902000001)
(2R,4E)-4-[2-[(2S)-2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
(2S,4E)-4-[2-[(2S)-2-carboxy-5-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
(2S,4E)-4-[2-[(2S)-2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
BE1218
C30H30FNO4S2 (551.1600192000001)
BE1218 is a liver X receptor (LXR) inverse agonist with IC50 values of 9 nM and 7 nM against LXRα and LXRβ, respectively[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
C26H33NO12 (551.2002658000001)