Exact Mass: 548.095472
Exact Mass Matches: 548.095472
Found 104 metabolites which its exact mass value is equals to given mass value 548.095472
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Deoxythymidine diphosphate-L-rhamnose
Deoxythymidine diphosphate-L-rhamnose (dTDP-L-rhamnose) is the precursor of L-rhamnose, a saccharide required for the virulence of some pathogenic bacteria. In gram-negative bacteria such as Salmonella enterica, Vibrio cholerae, or Escherichia coli 075:K5, L-rhamnose is an important residue in the O-antigen of lipopolysaccharides, which are essential for resistance to serum killing and colonization. In gram-positive bacteria such as streptococci, the capsule is a recognized virulence factor. For example, L-rhamnose is known to be present in the capsule of Streptococcus suis, a causative agent of meningitis in humans. In Streptococcus mutans, L-rhamnose containing polysaccharides have been implicated in tooth surface colonization and adherence to kidney, muscle, and heart tissues. In mycobacteria, L-rhamnose is fundamental to the structural integrity of the cell wall since it connects the inner peptidoglycan layer to the arabinogalactan polysaccharides. dTDP-L-rhamnose is synthesized from glucose-1-phosphate and deoxythymidine triphosphate (dTTP) via a pathway involving four distinct enzymes. Whereas common sugars such as glucose, fructose, and mannose are all D-configured, bacteria commonly utilize the L-configured carbohydrates in pharmacologically active compounds and their cell-wall structures. The bacterial cell wall is unique to bacteria; neither the cell wall nor the enzymes and chemical intermediates in its formation have analogues in humans. The enzymes involved in dTDP-L-rhamnose synthesis are potential targets for the design of new therapeutic agents (PMID: 10802738, 12773151). 2-deoxy-thymidine-beta-l-rhamnose, also known as dtdp-6-deoxy-L-mannose or thymidine diphosphate-L-rhamnose, is a member of the class of compounds known as pyrimidine nucleotide sugars. Pyrimidine nucleotide sugars are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group. 2-deoxy-thymidine-beta-l-rhamnose is soluble (in water) and a moderately acidic compound (based on its pKa). 2-deoxy-thymidine-beta-l-rhamnose can be found in a number of food items such as black salsify, dill, roman camomile, and tea leaf willow, which makes 2-deoxy-thymidine-beta-l-rhamnose a potential biomarker for the consumption of these food products. DTDP-beta-L-rhamnose is the beta-anomer of dTDP-L-rhamnose. It has a role as an Escherichia coli metabolite. It is functionally related to a dTDP-L-mannose. It is a conjugate acid of a dTDP-6-deoxy-beta-L-mannose(2-). Deoxythymidine diphosphate-L-rhamnose is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). The beta-anomer of dTDP-L-rhamnose.
dTDP-L-dihydrostreptose
Chrysoeriol 7-O-(6'-malonyl-glucoside)
Isolated from Petroselinum hortense (parsley). Chrysoeriol 7-(6-malonylglucoside) is found in many foods, some of which are herbs and spices, celery leaves, wild celery, and parsley. Chrysoeriol 7-O-(6-malonyl-glucoside) is found in celery leaves. Chrysoeriol 7-O-(6-malonyl-glucoside) is isolated from Petroselinum hortense (parsley).
Neobetanin
Neobetanin is found in fruits. Neobetanin is present in roots of red beet (Beta vulgaris ssp. vulgaris var. conditiva). Also in flowers of Barbary fig (Opuntia ficus-indica
Myricetin 3-(3',4'-diacetylrhamnoside)
Myricetin 3-(3,4-diacetylrhamnoside) is found in fruits. Myricetin 3-(3,4-diacetylrhamnoside) is a constituent of Myrsine africana (cape myrtle)
Phthalocyanine chloride
Luteolin 4-methyl ether 7-(6-malonylglucoside)
Quercetin 3-(3,6-diacetylgalactoside)
Myricetin 3-(3,4-diacetylrhamnoside)
di[benzoic acid] 2,7,8-trihydroxy-3-(4-hydroxyphenyl)dibenzofuran-1,4-diyl ester|thelephantin M
Neobetanin
Luteolin 3'-methyl ether 7-malonylglucoside
3,20-Dioxopregn-4-en-21-yl 4-bromobenzenesulfonate
C27H33BrO5S (548.1231948000001)
1-[2-[[4-[(2-bromo-4,6-dinitrophenyl)azo]-m-tolyl]ethylamino]ethyl]pyridinium chloride
4,7-Dibromo-5,6-bis(octyloxy)-2,1,3-benzothiadiazole
1,2-Bis(2,4-dimethyl-5-phenyl-3-thienyl)-3,3,4,4,5,5-hexafluoro-1-cyclopentene
(R)-2-(4-(6-(4-Chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)-2-methoxyphenoxy)-1-cyclopropylethyl dihydrogen phosphate
4-(N-(S-Glutathionylacetyl)amino)phenylarsonous acid
(2S)-1-[(E)-2-[(2S)-6-carboxy-2-carboxylato-2,3-dihydropyridin-4-yl]ethenyl]-5-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindole-2-carboxylate
delphinidin 3-O-(6-O-malonyl)-beta-glucoside
C24H20O15-2 (548.0802170000001)
[(2r,3s,5r)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl)tetrahydrofuran-2-Yl]methyl (2r,3r,4s,5s,6r)-3,4,5-Trihydroxy-6-Methyltetrahydro-2h-Pyran-2-Yl Dihydrogen Diphosphate
quercetin 3-O-(6-O-malonyl)galactoside
C24H20O15-2 (548.0802170000001)
[(2S,3R,4R,5S)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl] [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid
3-[[(2R,3S,4S,5R,6S)-6-[8-chloro-4-oxo-2-(2-phenylethyl)chromen-6-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
(2R)-2-hydroxy-4-oxo-4-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxochromen-3-yl]oxyoxan-2-yl]methoxy]butanoic acid
4-[(E)-2-[2-carboxy-6-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethenyl]pyridine-2,6-dicarboxylic acid
dTDP-beta-D-fucofuranose
A dTDP-sugar having beta-D-fucofuranose as the sugar component.
thymidine 5-[3-(6-deoxy-D-galactopyranosyl) dihydrogen diphosphate]
(2S,3S,4S,5R)-6-[2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
({3,4,5-trihydroxy-6-[3,5,7-trihydroxy-2-(2,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]oxan-2-yl}methoxy)sulfonic acid
(2S,3S,4S,5R)-6-[2-[(3E)-6-fluoro-2-(hydroxymethyl)-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
APS6-45
APS6-45 is an orally active tumor-calibrated inhibitor (TCI). APS6-45 inhibits RAS/MAPK signaling and exhibits antitumor activity[1].
4-{[(2s,3s,4s,5s,6s)-6-{[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-4-oxobutanoic acid
4-[(1e)-2-(2-carboxy-6-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroindol-1-yl)ethenyl]pyridine-2,6-dicarboxylic acid
4-{2-[(2r)-2-carboxy-6-hydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroindol-1-yl]ethenyl}pyridine-2,6-dicarboxylic acid
[4-(acetyloxy)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,5-dihydroxyoxan-2-yl]methyl acetate
5-chloro-4-hydroxy-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,10-dioxatricyclo[5.3.1.0⁴,⁸]undecan-6-yl 4-hydroxy-3-methoxybenzoate
[hydroxy([(2r,3r,5r)-3-hydroxy-5-(4-hydroxy-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy)phosphoryl]oxy([(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy)phosphinic acid
(2s)-5,6,8-trihydroxy-2-(hydroxymethyl)-9-[5,6,8-trihydroxy-2-(hydroxymethyl)-4-oxobenzo[g]chromen-9-yl]-2h,3h-naphtho[2,3-b]pyran-4-one
(1r,4s,5r,6s,7r,8s,9s)-5-chloro-4-hydroxy-9-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,10-dioxatricyclo[5.3.1.0⁴,⁸]undecan-6-yl 4-hydroxy-3-methoxybenzoate
(5r,6s,7r,8s,9s)-5-chloro-4-hydroxy-9-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,10-dioxatricyclo[5.3.1.0⁴,⁸]undecan-6-yl 4-hydroxy-3-methoxybenzoate
(1r,4s,5r,6s,7r,8s,9s)-5-chloro-4-hydroxy-9-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,10-dioxatricyclo[5.3.1.0⁴,⁸]undecan-6-yl 4-hydroxy-3-methoxybenzoate
5,6,8-trihydroxy-2-(hydroxymethyl)-9-[5,6,8-trihydroxy-2-(hydroxymethyl)-4-oxobenzo[g]chromen-9-yl]-2h,3h-naphtho[2,3-b]pyran-4-one
7-(3-chloro-2,4-dimethoxy-6-methylphenyl)-2,4-dihydroxy-9-methoxy-12,12-dimethyltetracene-5,6,11-trione
3-oxo-3-[(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid
2-hydroxy-5-(5-hydroxy-6-methyl-4-oxooxan-2-yl)-18-methyl-14-{3-methyl-[2,2'-bioxiran]-3-yl}-6,13-dioxapentacyclo[9.8.0.0³,⁹.0⁵,⁷.0¹²,¹⁷]nonadeca-1(11),2,9,12(17),14,18-hexaene-4,8,16-trione
5-methyl-3,6-dioxo-4-sulfanylidene-11-oxa-2,5-diazatricyclo[7.5.0.0²,⁷]tetradeca-7,9,12-trien-14-yl 3-(5-formyl-2-hydroxyphenoxy)-4-methoxybenzoate
C27H20N2O9S (548.0889470000001)
(2s,3s,4s,5s,6s)-3-(acetyloxy)-6-{[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy}-5-hydroxy-2-methyloxan-4-yl acetate
(1s,14s)-5-methyl-3,6-dioxo-4-sulfanylidene-11-oxa-2,5-diazatricyclo[7.5.0.0²,⁷]tetradeca-7,9,12-trien-14-yl 3-(5-formyl-2-hydroxyphenoxy)-4-methoxybenzoate
C27H20N2O9S (548.0889470000001)