Exact Mass: 551.1355774000001
Exact Mass Matches: 551.1355774000001
Found 64 metabolites which its exact mass value is equals to given mass value 551.1355774000001
,
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.
Lipoyl-GMP
Lipoyl-GMP is an intermediate in lipoic acid metabolism.In mammals, the posttranslational modification of unlipoylated apoproteins by addition of lipoic acid is done in a two-step enzymatic reaction using free lipoic acid. The free lipoic acid in the cell is first activated by reacting it. with adenosine triphosphate, using up two high energy phosphate bonds to form lipoyl-AMP (GMP), a process catalyzed by lipoate activating enzyme (LAE).41 The activated lipoyl moiety is subsequently used to form an amide bond with lysine residues of the unlipoylated apoprotein, which is catalyzed by lipoyl-AMP(GMP):N-lysine lipoyl transferase Interestingly, purified LAE from bovine liver mitochondria preferentially utilizes guanosine triphosphate, instead of adenosine triphosphate, for the activation of lipoic acid to form lipoyl-GMP.44 Furthermore, genetic analysis of LAE reveals that the enzyme is identical to. xenobiotic-metabolizing/medium-chain fatty acid:CoA ligase-III (XL-III) (also from bovine liver mitochondria). 44 Hence, there appear to be two pathways in which LAE is capable of activating carboxylic acids: one that uses guanosine triphosphate to form acyl-GMP; the other is dependent on adenosine triphosphate for the activation of carboxylic acids to the CoA thioester (acyl-CoA) via an. acyl-AMP intermediate. Lipoyl-GMP is an intermediate in lipoic acid metabolism.In mammals, the posttranslational modification of unlipoylated apoproteins by addition of lipoic acid is done in a two-step enzymatic reaction using free lipoic acid. The free lipoic acid in the cell is first activated by reacting it
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)
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
1,2-dibutyryl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate)(3-)
C17H29O16P2-3 (551.0930794000001)
(R)-lipoyl-GMP
An acyclic mixed acid anhydride that results from the formal condensation of the phosphoryl group of GMP with the carboxyl group of lipoic 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
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
1,2-dibutyryl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate)(3-)
C17H29O16P2 (551.0930794000001)
A 1-phosphatidyl-1D-myo-inositol 5-phosphate(3-) arising from deprotonation of the phosphate OH groups of 1,2-dibutyryl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate); major species at pH 7.3.
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].