Exact Mass: 551.1863
Exact Mass Matches: 551.1863
Found 286 metabolites which its exact mass value is equals to given mass value 551.1863
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bosentan
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
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
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
Saredutant
(+)-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
Phe Asp Arg Asp
Bosentan
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
Cys Asp Trp Glu
Cys Glu Asp Trp
Cys Glu Trp Asp
Cys Phe Pro Trp
Cys Phe Trp Pro
Cys Ile Met Trp
Cys Ile Trp Met
Cys Leu Met Trp
Cys Leu Trp Met
Cys Met Ile Trp
Cys Met Leu Trp
Cys Met Trp Ile
Cys Met Trp Leu
Cys Pro Phe Trp
Cys Pro Trp Phe
Cys Trp Asp Glu
Cys Trp Glu Asp
Cys Trp Phe Pro
Cys Trp Ile Met
Cys Trp Leu Met
Cys Trp Met Ile
Cys Trp Met Leu
Cys Trp Pro Phe
Asp Cys Glu Trp
Asp Cys Trp Glu
Asp Asp Phe Arg
Asp Asp Arg Phe
Asp Glu Cys Trp
Asp Glu Trp Cys
Asp Phe Asp Arg
Asp Phe Arg Asp
Asp Met Met Arg
Asp Met Arg Met
Asp Met Thr Trp
Asp Met Trp Thr
Asp Arg Asp Phe
Asp Arg Phe Asp
Asp Arg Met Met
Asp Thr Met Trp
Asp Thr Trp Met
Asp Trp Cys Glu
Asp Trp Glu Cys
Asp Trp Met Thr
Asp Trp Thr Met
Glu Cys Asp Trp
Glu Cys Trp Asp
Glu Asp Cys Trp
Glu Asp Trp Cys
Glu Glu Phe Gln
Glu Glu Gln Phe
Glu Phe Glu Gln
Glu Phe Gln Glu
Glu Met Ser Trp
Glu Met Trp Ser
Glu Gln Glu Phe
Glu Gln Phe Glu
Glu Ser Met Trp
Glu Ser Trp Met
Glu Trp Cys Asp
Glu Trp Asp Cys
Glu Trp Met Ser
Glu Trp Ser Met
Phe Cys Pro Trp
Phe Cys Trp Pro
Phe Asp Asp Arg
Phe Glu Glu Gln
Phe Glu Gln Glu
Phe Pro Cys Trp
Phe Pro Trp Cys
Phe Gln Glu Glu
Phe Arg Asp Asp
Phe Trp Cys Pro
Phe Trp Pro Cys
His His Met Gln
His His Gln Met
His Met His Gln
His Met Gln His
His Gln His Met
His Gln Met His
Ile Cys Met Trp
Ile Cys Trp Met
Ile Met Cys Trp
Ile Met Trp Cys
Ile Trp Cys Met
Ile Trp Met Cys
Leu Cys Met Trp
Leu Cys Trp Met
Leu Met Cys Trp
Leu Met Trp Cys
Leu Trp Cys Met
Leu Trp Met Cys
Met Cys Ile Trp
Met Cys Leu Trp
Met Cys Trp Ile
Met Cys Trp Leu
Met Asp Met Arg
Met Asp Arg Met
Met Asp Thr Trp
Met Asp Trp Thr
Met Glu Ser Trp
Met Glu Trp Ser
Met His His Gln
Met His Gln His
Met Ile Cys Trp
Met Ile Trp Cys
Met Leu Cys Trp
Met Leu Trp Cys
Met Met Asp Arg
Met Met Arg Asp
Met Gln His His
Met Arg Asp Met
Met Arg Met Asp
Met Ser Glu Trp
Met Ser Trp Glu
Met Thr Asp Trp
Met Thr Trp Asp
Met Trp Cys Ile
Met Trp Cys Leu
Met Trp Asp Thr
Met Trp Glu Ser
Met Trp Ile Cys
Met Trp Leu Cys
Met Trp Ser Glu
Met Trp Thr Asp
Asn Gln Gln Tyr
Asn Gln Tyr Gln
Asn Tyr Gln Gln
Pro Cys Phe Trp
Pro Cys Trp Phe
Pro Phe Cys Trp
Pro Phe Trp Cys
Pro Trp Cys Phe
Pro Trp Phe Cys
Gln Glu Glu Phe
Gln Glu Phe Glu
Gln Phe Glu Glu
Gln His His Met
Gln His Met His
Gln Met His His
Gln Asn Gln Tyr
Gln Asn Tyr Gln
Gln Gln Asn Tyr
Gln Gln Tyr Asn
Gln Tyr Asn Gln
Gln Tyr Gln Asn
Arg Asp Asp Phe
Arg Asp Phe Asp
Arg Asp Met Met
Arg Phe Asp Asp
Arg Met Asp Met
Arg Met Met Asp
Ser Glu Met Trp
Ser Glu Trp Met
Ser Met Glu Trp
Ser Met Trp Glu
Ser Trp Glu Met
Ser Trp Met Glu
Thr Asp Met Trp
Thr Asp Trp Met
Thr Met Asp Trp
Thr Met Trp Asp
Thr Trp Asp Met
Thr Trp Met Asp
Trp Cys Asp Glu
Trp Cys Glu Asp
Trp Cys Phe Pro
Trp Cys Ile Met
Trp Cys Leu Met
Trp Cys Met Ile
Trp Cys Met Leu
Trp Cys Pro Phe
Trp Asp Cys Glu
Trp Asp Glu Cys
Trp Asp Met Thr
Trp Asp Thr Met
Trp Glu Cys Asp
Trp Glu Asp Cys
Trp Glu Met Ser
Trp Glu Ser Met
Trp Phe Cys Pro
Trp Phe Pro Cys
Trp Ile Cys Met
Trp Ile Met Cys
Trp Leu Cys Met
Trp Leu Met Cys
Trp Met Cys Ile
Trp Met Cys Leu
Trp Met Asp Thr
Trp Met Glu Ser
Trp Met Ile Cys
Trp Met Leu Cys
Trp Met Ser Glu
Trp Met Thr Asp
Trp Pro Cys Phe
Trp Pro Phe Cys
Trp Ser Glu Met
Trp Ser Met Glu
Trp Thr Asp Met
Trp Thr Met Asp
Tyr Asn Gln Gln
Tyr Gln Asn Gln
Tyr Gln Gln Asn
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
Simmondsin 2'-ferulate
2,6-DIPHENYL-4-(2,4,6-TRIPHENYL-1-PYRIDINIO)PHENOLATE
TERT-BUTYL 4-(6-((5-(2-(7-CHLORO-1H-INDOL-4-YL)VINYL)THIAZOL-2-YL)AMINO)-2-METHYLPYRIMIDIN-4-YL)PIPERAZINE-1-CARBOXYLATE
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)-
Saredutant
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent Saredutant is a selective NK2 receptor antagonist.
Thiothixene dihydrochloride dihydrate
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
Enzastaurin Hydrochloride
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
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
(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
[(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-morpholinyl)methanone
[(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-morpholin-4-ylmethanone
2-[(2R,9S,12R,13R,15S)-15-[(E)-hex-4-enoyl]-12-[(E)-oct-6-enyl]-4,6,18-trioxo-5,16,17-trioxapentacyclo[7.7.2.01,10.02,13.03,7]octadeca-3(7),10-dien-9-yl]acetate
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
(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
(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
N-succinyl-Leu-Tyr-7-amido-4-methylcoumarin
Coumarin carrying a methyl group at C-4 and a succinyl-leucyl-tryrosyl side-chain at C-7.
BE1218
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
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
bethogenon
{"Ingredient_id": "HBIN018363","Ingredient_name": "bethogenon","Alias": "NA","Ingredient_formula": "C24H27N2O13","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30653","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}