Exact Mass: 551.189339
Exact Mass Matches: 551.189339
Found 349 metabolites which its exact mass value is equals to given mass value 551.189339
,
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
(+)-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
C23H33N7O9 (551.2339648000001)
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.
Ala Glu Phe Trp
Ala Glu Trp Phe
Ala Phe Glu Trp
Ala Phe Trp Glu
Ala Trp Glu Phe
Ala Trp Phe Glu
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 His His Arg
Cys His Arg His
Cys Ile Met Trp
C25H37N5O5S2 (551.2235992000001)
Cys Ile Trp Met
C25H37N5O5S2 (551.2235992000001)
Cys Leu Met Trp
C25H37N5O5S2 (551.2235992000001)
Cys Leu Trp Met
C25H37N5O5S2 (551.2235992000001)
Cys Met Ile Trp
C25H37N5O5S2 (551.2235992000001)
Cys Met Leu Trp
C25H37N5O5S2 (551.2235992000001)
Cys Met Trp Ile
C25H37N5O5S2 (551.2235992000001)
Cys Met Trp Leu
C25H37N5O5S2 (551.2235992000001)
Cys Pro Phe Trp
C28H33N5O5S (551.2202288000001)
Cys Pro Trp Phe
C28H33N5O5S (551.2202288000001)
Cys Arg His His
Cys Trp Asp Glu
C23H29N5O9S (551.1685904000001)
Cys Trp Glu Asp
C23H29N5O9S (551.1685904000001)
Cys Trp Phe Pro
C28H33N5O5S (551.2202288000001)
Cys Trp Ile Met
C25H37N5O5S2 (551.2235992000001)
Cys Trp Leu Met
C25H37N5O5S2 (551.2235992000001)
Cys Trp Met Ile
C25H37N5O5S2 (551.2235992000001)
Cys Trp Met Leu
C25H37N5O5S2 (551.2235992000001)
Cys Trp Pro Phe
C28H33N5O5S (551.2202288000001)
Asp Cys Glu Trp
C23H29N5O9S (551.1685904000001)
Asp Cys Trp Glu
C23H29N5O9S (551.1685904000001)
Asp Asp Phe Arg
C23H33N7O9 (551.2339648000001)
Asp Asp Arg Phe
C23H33N7O9 (551.2339648000001)
Asp Glu Cys Trp
C23H29N5O9S (551.1685904000001)
Asp Glu Trp Cys
C23H29N5O9S (551.1685904000001)
Asp Phe Asp Arg
C23H33N7O9 (551.2339648000001)
Asp Phe Arg Asp
C23H33N7O9 (551.2339648000001)
Asp Met Met Arg
Asp Met Arg Met
Asp Met Thr Trp
C24H33N5O8S (551.2049738000001)
Asp Met Trp Thr
C24H33N5O8S (551.2049738000001)
Asp Arg Asp Phe
C23H33N7O9 (551.2339648000001)
Asp Arg Phe Asp
C23H33N7O9 (551.2339648000001)
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 Ala Phe Trp
Glu Ala Trp Phe
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 Glu Phe Gln
Glu Glu Gln Phe
Glu Phe Ala Trp
Glu Phe Glu Gln
Glu Phe Gln Glu
Glu Phe Trp Ala
Glu Met Ser Trp
C24H33N5O8S (551.2049738000001)
Glu Met Trp Ser
C24H33N5O8S (551.2049738000001)
Glu Gln Glu Phe
Glu Gln Phe Glu
Glu Ser Met Trp
C24H33N5O8S (551.2049738000001)
Glu Ser Trp Met
C24H33N5O8S (551.2049738000001)
Glu Trp Ala Phe
Glu Trp Cys Asp
C23H29N5O9S (551.1685904000001)
Glu Trp Asp Cys
C23H29N5O9S (551.1685904000001)
Glu Trp Phe Ala
Glu Trp Met Ser
C24H33N5O8S (551.2049738000001)
Glu Trp Ser Met
C24H33N5O8S (551.2049738000001)
Phe Ala Glu Trp
Phe Ala Trp Glu
Phe Cys Pro Trp
C28H33N5O5S (551.2202288000001)
Phe Cys Trp Pro
C28H33N5O5S (551.2202288000001)
Phe Asp Asp Arg
C23H33N7O9 (551.2339648000001)
Phe Glu Ala Trp
Phe Glu Glu Gln
Phe Glu Gln Glu
Phe Glu Trp Ala
Phe Pro Cys Trp
C28H33N5O5S (551.2202288000001)
Phe Pro Trp Cys
C28H33N5O5S (551.2202288000001)
Phe Gln Glu Glu
Phe Arg Asp Asp
C23H33N7O9 (551.2339648000001)
Phe Trp Ala Glu
Phe Trp Cys Pro
C28H33N5O5S (551.2202288000001)
Phe Trp Glu Ala
Phe Trp Pro Cys
C28H33N5O5S (551.2202288000001)
His Cys His Arg
His Cys Arg His
His His Cys Arg
His His Met Gln
C22H33N9O6S (551.2274398000001)
His His Gln Met
C22H33N9O6S (551.2274398000001)
His His Arg Cys
His Met His Gln
C22H33N9O6S (551.2274398000001)
His Met Gln His
C22H33N9O6S (551.2274398000001)
His Gln His Met
C22H33N9O6S (551.2274398000001)
His Gln Met His
C22H33N9O6S (551.2274398000001)
His Arg Cys His
His Arg His Cys
Ile Cys Met Trp
C25H37N5O5S2 (551.2235992000001)
Ile Cys Trp Met
C25H37N5O5S2 (551.2235992000001)
Ile Met Cys Trp
C25H37N5O5S2 (551.2235992000001)
Ile Met Trp Cys
C25H37N5O5S2 (551.2235992000001)
Ile Trp Cys Met
C25H37N5O5S2 (551.2235992000001)
Ile Trp Met Cys
C25H37N5O5S2 (551.2235992000001)
Leu Cys Met Trp
C25H37N5O5S2 (551.2235992000001)
Leu Cys Trp Met
C25H37N5O5S2 (551.2235992000001)
Leu Met Cys Trp
C25H37N5O5S2 (551.2235992000001)
Leu Met Trp Cys
C25H37N5O5S2 (551.2235992000001)
Leu Trp Cys Met
C25H37N5O5S2 (551.2235992000001)
Leu Trp Met Cys
C25H37N5O5S2 (551.2235992000001)
Met Cys Ile Trp
C25H37N5O5S2 (551.2235992000001)
Met Cys Leu Trp
C25H37N5O5S2 (551.2235992000001)
Met Cys Trp Ile
C25H37N5O5S2 (551.2235992000001)
Met Cys Trp Leu
C25H37N5O5S2 (551.2235992000001)
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 His His Gln
C22H33N9O6S (551.2274398000001)
Met His Gln His
C22H33N9O6S (551.2274398000001)
Met Ile Cys Trp
C25H37N5O5S2 (551.2235992000001)
Met Ile Trp Cys
C25H37N5O5S2 (551.2235992000001)
Met Leu Cys Trp
C25H37N5O5S2 (551.2235992000001)
Met Leu Trp Cys
C25H37N5O5S2 (551.2235992000001)
Met Met Asp Arg
Met Met Arg Asp
Met Gln His His
C22H33N9O6S (551.2274398000001)
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 Cys Ile
C25H37N5O5S2 (551.2235992000001)
Met Trp Cys Leu
C25H37N5O5S2 (551.2235992000001)
Met Trp Asp Thr
C24H33N5O8S (551.2049738000001)
Met Trp Glu Ser
C24H33N5O8S (551.2049738000001)
Met Trp Ile Cys
C25H37N5O5S2 (551.2235992000001)
Met Trp Leu Cys
C25H37N5O5S2 (551.2235992000001)
Met Trp Ser Glu
C24H33N5O8S (551.2049738000001)
Met Trp Thr Asp
C24H33N5O8S (551.2049738000001)
Asn Gln Gln Tyr
C23H33N7O9 (551.2339648000001)
Asn Gln Tyr Gln
C23H33N7O9 (551.2339648000001)
Asn Tyr Gln Gln
C23H33N7O9 (551.2339648000001)
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 Ser Trp Tyr
Pro Ser Tyr Trp
Pro Trp Cys Phe
C28H33N5O5S (551.2202288000001)
Pro Trp Phe Cys
C28H33N5O5S (551.2202288000001)
Pro Trp Ser Tyr
Pro Trp Tyr Ser
Pro Tyr Ser Trp
Pro Tyr Trp Ser
Gln Glu Glu Phe
Gln Glu Phe Glu
Gln Phe Glu Glu
Gln His His Met
C22H33N9O6S (551.2274398000001)
Gln His Met His
C22H33N9O6S (551.2274398000001)
Gln Met His His
C22H33N9O6S (551.2274398000001)
Gln Asn Gln Tyr
C23H33N7O9 (551.2339648000001)
Gln Asn Tyr Gln
C23H33N7O9 (551.2339648000001)
Gln Gln Asn Tyr
C23H33N7O9 (551.2339648000001)
Gln Gln Tyr Asn
C23H33N7O9 (551.2339648000001)
Gln Tyr Asn Gln
C23H33N7O9 (551.2339648000001)
Gln Tyr Gln Asn
C23H33N7O9 (551.2339648000001)
Arg Cys His His
Arg Asp Asp Phe
C23H33N7O9 (551.2339648000001)
Arg Asp Phe Asp
C23H33N7O9 (551.2339648000001)
Arg Asp Met Met
Arg Phe Asp Asp
C23H33N7O9 (551.2339648000001)
Arg His Cys His
Arg His His Cys
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 Pro Trp Tyr
Ser Pro Tyr Trp
Ser Trp Glu Met
C24H33N5O8S (551.2049738000001)
Ser Trp Met Glu
C24H33N5O8S (551.2049738000001)
Ser Trp Pro Tyr
Ser Trp Tyr Pro
Ser Tyr Pro Trp
Ser Tyr Trp Pro
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 Ala Glu Phe
Trp Ala Phe Glu
Trp Cys Asp Glu
C23H29N5O9S (551.1685904000001)
Trp Cys Glu Asp
C23H29N5O9S (551.1685904000001)
Trp Cys Phe Pro
C28H33N5O5S (551.2202288000001)
Trp Cys Ile Met
C25H37N5O5S2 (551.2235992000001)
Trp Cys Leu Met
C25H37N5O5S2 (551.2235992000001)
Trp Cys Met Ile
C25H37N5O5S2 (551.2235992000001)
Trp Cys Met Leu
C25H37N5O5S2 (551.2235992000001)
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 Ala Phe
Trp Glu Cys Asp
C23H29N5O9S (551.1685904000001)
Trp Glu Asp Cys
C23H29N5O9S (551.1685904000001)
Trp Glu Phe Ala
Trp Glu Met Ser
C24H33N5O8S (551.2049738000001)
Trp Glu Ser Met
C24H33N5O8S (551.2049738000001)
Trp Phe Ala Glu
Trp Phe Cys Pro
C28H33N5O5S (551.2202288000001)
Trp Phe Glu Ala
Trp Phe Pro Cys
C28H33N5O5S (551.2202288000001)
Trp Ile Cys Met
C25H37N5O5S2 (551.2235992000001)
Trp Ile Met Cys
C25H37N5O5S2 (551.2235992000001)
Trp Leu Cys Met
C25H37N5O5S2 (551.2235992000001)
Trp Leu Met Cys
C25H37N5O5S2 (551.2235992000001)
Trp Met Cys Ile
C25H37N5O5S2 (551.2235992000001)
Trp Met Cys Leu
C25H37N5O5S2 (551.2235992000001)
Trp Met Asp Thr
C24H33N5O8S (551.2049738000001)
Trp Met Glu Ser
C24H33N5O8S (551.2049738000001)
Trp Met Ile Cys
C25H37N5O5S2 (551.2235992000001)
Trp Met Leu Cys
C25H37N5O5S2 (551.2235992000001)
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 Pro Ser Tyr
Trp Pro Tyr Ser
Trp Ser Glu Met
C24H33N5O8S (551.2049738000001)
Trp Ser Met Glu
C24H33N5O8S (551.2049738000001)
Trp Ser Pro Tyr
Trp Ser Tyr Pro
Trp Thr Asp Met
C24H33N5O8S (551.2049738000001)
Trp Thr Met Asp
C24H33N5O8S (551.2049738000001)
Trp Tyr Pro Ser
Trp Tyr Ser Pro
Tyr Asn Gln Gln
C23H33N7O9 (551.2339648000001)
Tyr Pro Ser Trp
Tyr Pro Trp Ser
Tyr Gln Asn Gln
C23H33N7O9 (551.2339648000001)
Tyr Gln Gln Asn
C23H33N7O9 (551.2339648000001)
Tyr Ser Pro Trp
Tyr Ser Trp Pro
Tyr Trp Pro Ser
Tyr Trp Ser Pro
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)
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
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)
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
[(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
[(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
C30H34FN3O4S (551.2253936000001)
[(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
C30H34FN3O4S (551.2253936000001)
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
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
N-succinyl-Leu-Tyr-7-amido-4-methylcoumarin
C29H33N3O8 (551.2267538000001)
Coumarin carrying a methyl group at C-4 and a succinyl-leucyl-tryrosyl side-chain at C-7.
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)
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"}
methyl (1r,3s,4r,5r,7r,9r,11s,12s,13s)-5-(6-aminopurin-9-yl)-1,12-dihydroxy-13-{[(2e)-2-(hydroxymethyl)but-2-enoyl]oxy}-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate
(2s,3s,6s)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl 1-methyl (2s,3r)-3-benzyl-2,3-dihydroxybutanedioate
(3s,6s)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl 1-methyl (2s,3r)-3-benzyl-2,3-dihydroxybutanedioate
(2r,3r,4s,5s,6r)-2-{[(1r,2e,3s,4r,5s)-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)
(4s,5r,6s)-4-{[(1s)-2-acetyl-6,7-dihydroxy-3,4-dihydro-1h-isoquinolin-1-yl]methyl}-5-ethenyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylic acid
C26H33NO12 (551.2002658000001)
(2s,3s,4r,5s)-4-[(acetyloxy)methyl]-2,5-bis(4-hydroxy-3-methoxyphenyl)-n-[2-(4-hydroxyphenyl)ethyl]oxolane-3-carboximidic acid
(4s,5r,6s)-4-{[(1r)-2-acetyl-6,7-dihydroxy-3,4-dihydro-1h-isoquinolin-1-yl]methyl}-5-ethenyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylic acid
C26H33NO12 (551.2002658000001)
13-{[1-hydroxy-3-methyl-2-(methylamino)pentylidene]amino}-9-(c-hydroxycarbonimidoyloxy)-14-(4-hydroxyphenyl)-12-oxo-1,11-diazatetracyclo[6.6.1.0²,⁷.0¹¹,¹⁵]pentadeca-2,4,6-triene-10-carboxylic acid
10-{[1,9-dihydroxy-2-(2-methylpropyl)-3-oxo-2h,9ah-imidazo[1,2-a]indol-9-yl]methyl}-8-hydroxy-1,9,12-triazatetracyclo[9.8.0.0²,⁷.0¹³,¹⁸]nonadeca-2,4,6,8,11,13,15,17-octaen-19-one
(2s,3s,6r)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl 1-methyl (2s,3r)-3-benzyl-2,3-dihydroxybutanedioate
17-chloro-3,13-diethyl-1,4,7,11,18-pentahydroxy-6-(hydroxymethyl)-9-phenyl-3h,6h,9h,10h,13h,16h,17h,18h,18ah-pyrrolo[1,2-d]1,4,7,10,13-pentaazacyclohexadecan-14-one
C25H34ClN5O7 (551.2146644000001)
methyl 5-(6-aminopurin-9-yl)-1,13-dihydroxy-12-{[2-(hydroxymethyl)but-2-enoyl]oxy}-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate
(2r,3r,4s,5r,6r)-2-{[(1r,2e,3s,4r,5s)-2-(cyanomethylidene)-3-hydroxy-4,5-dimethoxycyclohexyl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
C26H33NO12 (551.2002658000001)
methyl (1s,3s,4r,5r,7r,9r,11s,12s,13r)-5-(6-aminopurin-9-yl)-1,13-dihydroxy-12-{[(2e)-2-(hydroxymethyl)but-2-enoyl]oxy}-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate
4-[(2-acetyl-6,7-dihydroxy-3,4-dihydro-1h-isoquinolin-1-yl)methyl]-5-ethenyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylic acid
C26H33NO12 (551.2002658000001)
(2r,3s,4r,5s)-4-[(acetyloxy)methyl]-2,5-bis(4-hydroxy-3-methoxyphenyl)-n-[2-(4-hydroxyphenyl)ethyl]oxolane-3-carboximidic acid
4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl 1-methyl 3-benzyl-2,3-dihydroxybutanedioate
(8r,9s,10s,13s,14r,15r)-13-{[(2s,3s)-1-hydroxy-3-methyl-2-(methylamino)pentylidene]amino}-9-(c-hydroxycarbonimidoyloxy)-14-(4-hydroxyphenyl)-12-oxo-1,11-diazatetracyclo[6.6.1.0²,⁷.0¹¹,¹⁵]pentadeca-2,4,6-triene-10-carboxylic acid
(10s)-10-{[(2s,9s,9ar)-1,9-dihydroxy-2-(2-methylpropyl)-3-oxo-2h,9ah-imidazo[1,2-a]indol-9-yl]methyl}-8-hydroxy-1,9,12-triazatetracyclo[9.8.0.0²,⁷.0¹³,¹⁸]nonadeca-2,4,6,8,11,13,15,17-octaen-19-one
n-(3-hydroxy-1-{[hydroxy((2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxy)phosphoryl]oxy}butan-2-yl)ethanimidic acid
methyl (1s,3r,4s,5r,7r,9r,11s,12s,13s)-5-(6-aminopurin-9-yl)-1,12-dihydroxy-13-{[(2e)-2-(hydroxymethyl)but-2-enoyl]oxy}-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate
[5-({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)