Exact Mass: 552.2054106
Exact Mass Matches: 552.2054106
Found 65 metabolites which its exact mass value is equals to given mass value 552.2054106,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Chenodeoxycholic acid disulfate
C24H40O10S2 (552.2062780000001)
Chenodeoxycholic acid disulfate is a bile acid derviative. A bile acid. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute, depending only on the presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g. membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues (PMID: 11316487, 16037564, 12576301, 11907135). A bile acid derviative. A bile acid. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12.
Deoxycholic acid disulfate
C24H40O10S2 (552.2062780000001)
Deoxycholic acid disulfate is a substrate for Proteinase activated receptor 2, Heterogeneous nuclear ribonucleoprotein H, Small inducible cytokine A24 and Hemoglobin alpha chain. [HMDB] Deoxycholic acid disulfate is a substrate for Proteinase activated receptor 2, Heterogeneous nuclear ribonucleoprotein H, Small inducible cytokine A24 and Hemoglobin alpha chain.
Arctignan B
Arctignan b is a member of the class of compounds known as dibenzylbutyrolactone lignans. Dibenzylbutyrolactone lignans are lignan compounds containing a 3,4-dibenzyloxolan-2-one moiety. Arctignan b is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Arctignan b can be found in burdock, which makes arctignan b a potential biomarker for the consumption of this food product.
Arctignan C
Arctignan c is a member of the class of compounds known as dibenzylbutyrolactone lignans. Dibenzylbutyrolactone lignans are lignan compounds containing a 3,4-dibenzyloxolan-2-one moiety. Arctignan c is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Arctignan c can be found in burdock, which makes arctignan c a potential biomarker for the consumption of this food product.
O(C)c1c(OC)cc2c3c1c1c(c(-c4c5nccc6c5c(C(=O)C(OC)=C6)c5c4cccc5)c3N(C)CC2)cccc1
1-(3-Methoxy-4-hydroxyphenyl)-2-[2-hydroxy-3-methoxy-5-[4-(3-methoxy-4-hydroxyphenyl)-3,7-dioxabicyclo[3.3.0]octane-8-yl]phenyl]-3-hydroxy-1-propanone
[4-[5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-oxo-4-phenylchromen-6-yl]-2-methyl-4-oxobutyl] 3-phenylprop-2-enoate
(6-O-beta-D-glucopyranosyl)-6alpha-dihydrocornic acid methyl ester
6,18-bis(1-hydroxy-3-methylbut-2-en-1-yl)-11,22-dimethyl-5,10,17,21-tetraoxaheptacyclo[11.7.2.0²,⁸.0²,¹².0⁴,⁶.0¹⁴,²⁰.0¹⁶,¹⁸]docosa-8,14(20)-diene-3,7,15,19-tetrone
(4R)-4-((3R,5S,7R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
C24H40O10S2 (552.2062780000001)
Glu Glu Glu Phe
Glu Glu Phe Glu
Glu Phe Glu Glu
Glu His His Met
C22H32N8O7S (552.2114561999999)
Glu His Met His
C22H32N8O7S (552.2114561999999)
Glu Met His His
C22H32N8O7S (552.2114561999999)
Phe Glu Glu Glu
His Glu His Met
C22H32N8O7S (552.2114561999999)
His Glu Met His
C22H32N8O7S (552.2114561999999)
His His Glu Met
C22H32N8O7S (552.2114561999999)
His His Met Glu
C22H32N8O7S (552.2114561999999)
His Met Glu His
C22H32N8O7S (552.2114561999999)
His Met His Glu
C22H32N8O7S (552.2114561999999)
Met Glu His His
C22H32N8O7S (552.2114561999999)
Met His Glu His
C22H32N8O7S (552.2114561999999)
Met His His Glu
C22H32N8O7S (552.2114561999999)
Chenodeoxycholic acid disulfate
C24H40O10S2 (552.2062780000001)
Deoxycholic acid disulfate
C24H40O10S2 (552.2062780000001)
1a,8a-bis(1-hydroxy-3-methylbut-2-en-1-yl)-5,13-dimethyl-1a,5,5a,6,7a,8a,10,11a-octahydro-10,6-(epoxymethano)oxireno[2,3:4,5]benzo[1,2-d]oxireno[2,3:4,5]benzo[1,2-g]isochromene-2,7,9,11-tetraone
CHLORODIHYDRIDO[BIS(2-DI-I-PROPYLPHOSPHINOETHYL)AMINE]IRIDIUM(III)
C16H42ClIrN2P2 (552.2141022000001)
4-(n-ethyl-n-2-methoxyethyl)-2-methylphenylenediamine di-p-toluenesulfonate
Lufotrelvir
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C254 - Anti-Infective Agent > C281 - Antiviral Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
6,18-Bis(1-hydroxy-3-methylbut-2-enyl)-11,22-dimethyl-5,10,17,21-tetraoxaheptacyclo[11.7.2.02,8.02,12.04,6.014,20.016,18]docosa-8,14(20)-diene-3,7,15,19-tetrone
3-Diphenylphosphoryl-7-(diphenylphosphorylmethyl)-6-methyl-4-oxatricyclo[4.3.0.03,7]nonane
C34H34O3P2 (552.1983074000001)
N-[(2S,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
C28H32N4O6S (552.2042452000001)
N-[[(4S,5S)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide
N-[[(4S,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide
N-[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide
N-[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide
N-[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide
N-[[(4R,5S)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide
N-[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide
N-[[(4R,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide
N-[(2S,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
C28H32N4O6S (552.2042452000001)
N-[(2S,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
C28H32N4O6S (552.2042452000001)
N-[(2R,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
C28H32N4O6S (552.2042452000001)
N-[(2R,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
C28H32N4O6S (552.2042452000001)
N-[(2R,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
C28H32N4O6S (552.2042452000001)