Exact Mass: 551.1513072
Exact Mass Matches: 551.1513072
Found 73 metabolites which its exact mass value is equals to given mass value 551.1513072
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Delphinidin 3-(6'-malonyl-glucoside)
Delphinidin 3-(6-malonyl-glucoside) is a polyphenol compound found in foods of plant origin (PMID: 20428313)
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.
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)
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-Hydroxycyanidin 3-(6-malonylglucoside)
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 Trp Asp Glu
C23H29N5O9S (551.1685904000001)
Cys Trp Glu Asp
C23H29N5O9S (551.1685904000001)
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 Trp Cys Glu
C23H29N5O9S (551.1685904000001)
Asp Trp Glu Cys
C23H29N5O9S (551.1685904000001)
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 Trp Cys Asp
C23H29N5O9S (551.1685904000001)
Glu Trp Asp Cys
C23H29N5O9S (551.1685904000001)
Trp Cys Asp Glu
C23H29N5O9S (551.1685904000001)
Trp Cys Glu Asp
C23H29N5O9S (551.1685904000001)
Trp Asp Cys Glu
C23H29N5O9S (551.1685904000001)
Trp Asp Glu Cys
C23H29N5O9S (551.1685904000001)
Trp Glu Cys Asp
C23H29N5O9S (551.1685904000001)
Trp Glu Asp Cys
C23H29N5O9S (551.1685904000001)
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
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
Thiothixene dihydrochloride dihydrate
C23H35Cl2N3O4S2 (551.1445930000001)
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
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)
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].
(2r)-2-[({2,5,10,11,13,17,19-heptahydroxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(14),2,4(9),5,7,12,16,18,20-nonaen-6-yl}(hydroxy)methylidene)amino]propanoic acid
[(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)