Exact Mass: 548.0707584

Exact Mass Matches: 548.0707584

Found 83 metabolites which its exact mass value is equals to given mass value 548.0707584, 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

[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl (2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)

C16H26N2O15P2 (548.0808386)


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

[(2R,3R,4S,5S)-3,4-dihydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl] [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate

C16H26N2O15P2 (548.0808386)


   

UDP-4-dehydro-6-deoxy-D-glucose

{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}[({[(2R,3R,4R,6R)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]oxy}(hydroxy)phosphoryl)oxy]phosphinic acid

C15H22N2O16P2 (548.0444552)


UDP-4-dehydro-6-deoxy-D-glucose, also known as UDP-4-keto-6-deoxy-D-glucose, belongs to the class of organic compounds known as pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group. UDP-4-dehydro-6-deoxy-D-glucose is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, UDP-4-dehydro-6-deoxy-D-glucose has been detected, but not quantified in, several different foods, such as Oregon yampahs, oriental wheat, Chinese mustards, blackcurrants, and pomegranates. This could make UDP-4-dehydro-6-deoxy-D-glucose a potential biomarker for the consumption of these foods. UDP-4-dehydro-6-deoxy-D-glucose is synthesized from UDP-glucose via the enzyme UDP-glucose 4,6-dehydratase. UDP-4-dehydro-6-deoxy-D-glucose is synthesized from UDP-glucose through the enzyme UDP-glucose 4,6-dehydratase. [HMDB]. UDP-4-dehydro-6-deoxy-D-glucose is found in many foods, some of which are alaska wild rhubarb, soy bean, ginkgo nuts, and common beet.

   
   

dTDP-4-deoxy-4-thio-alpha-D-digitoxose

dTDP-4-deoxy-4-thio-alpha-D-digitoxose

C16H26N2O13P2S (548.0630806)


   
   
   

dTDP-6-deoxy-D-allose

dTDP-6-deoxy-alpha-D-allose

C16H26N2O15P2 (548.0808386)


   

Chrysoeriol 7-O-(6'-malonyl-glucoside)

3-oxo-3-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methoxy}propanoic acid

C25H24O14 (548.1166003999999)


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).

   

Myricetin 3-(3',4'-diacetylrhamnoside)

3-(Acetyloxy)-6-{[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl]oxy}-5-hydroxy-2-methyloxan-4-yl acetic acid

C25H24O14 (548.1166003999999)


Myricetin 3-(3,4-diacetylrhamnoside) is found in fruits. Myricetin 3-(3,4-diacetylrhamnoside) is a constituent of Myrsine africana (cape myrtle)

   

Dotmp

{[4,7,10-tris(phosphonomethyl)-1,4,7,10-tetraazacyclododecan-1-yl]methyl}phosphonic acid

C12H32N4O12P4 (548.0967152)


   

Kaempferol 7-(6-p-succinylglucoside)

3,5,7,4-Tetrahydroxyflavone 7- (6"-p-succinylglucoside)

C25H24O14 (548.1166003999999)


   

Luteolin 4-methyl ether 7-(6-malonylglucoside)

5,7,3-Trihydroxy-4-methoxyflavone 7- (6"-malonylglucoside)

C25H24O14 (548.1166003999999)


   

Quercetin 3-(3,6-diacetylgalactoside)

3- [ (3-O,6-O-Diacetyl-beta-D-galactopyranosyl) oxy ] -3,4,5,7-tetrahydroxyflavone

C25H24O14 (548.1166003999999)


   

Pratensein 7-O-(6-malonylglucoside)

Pratensein 7-O-(6-malonylglucoside)

C25H24O14 (548.1166003999999)


   

Luteolin 3-methyl ether 7-malonylglucoside

5,7,4-Trihydroxy-3-methoxyflavone 7-malonylglucoside

C25H24O14 (548.1166003999999)


   

Myricetin 3-(3,4-diacetylrhamnoside)

3- [ (3,4-Di-O-acetyl-6-deoxy-alpha-L-mannopyranosyl) oxy ] -5,7-dihydroxy-2- (3,4,5-trihydroxyphenyl) -4H-1-benzopyran-4-one

C25H24O14 (548.1166003999999)


   

DESFUROYL CEFTIOFUR CYSTEINE DISULFIDE

DESFUROYL CEFTIOFUR CYSTEINE DISULFIDE

C17H20N6O7S4 (548.027629)


   

Peonidin 3-(6-malonylglucoside)

Peonidin 3-(6-malonylglucoside)

C25H24O14 (548.1166003999999)


   
   

di[benzoic acid] 2,7,8-trihydroxy-3-(4-hydroxyphenyl)dibenzofuran-1,4-diyl ester|thelephantin M

di[benzoic acid] 2,7,8-trihydroxy-3-(4-hydroxyphenyl)dibenzofuran-1,4-diyl ester|thelephantin M

C32H20O9 (548.110727)


   
   
   
   
   
   
   
   
   

Cyanidin 3-O-(6-O-succinyl-beta-glucopyranoside)

Cyanidin 3-O-(6-O-succinyl-beta-glucopyranoside)

C25H24O14 (548.1166003999999)


   

pelargonidin 3-O-(6\'-O-malyl-beta-D-glucoside)

pelargonidin 3-O-(6\"-O-malyl-beta-D-glucoside)

C25H24O14 (548.1166003999999)


   

Chrysoeriol 7-O-malonylhexoside

Chrysoeriol 7-O-malonylhexoside

C25H24O14 (548.1166003999999)


   

Flavone base + 3O, 1MeO, O-MalonylHex

Flavone base + 3O, 1MeO, O-MalonylHex

C25H24O14 (548.1166003999999)


Annotation level-3

   

Sulindac sulfone glucuronide

Sulindac sulfone glucuronide

C26H25FO10S (548.1152402)


   
   

Luteolin 3'-methyl ether 7-malonylglucoside

3-oxo-3-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methoxy}propanoic acid

C25H24O14 (548.1166003999999)


   

3 3-DIBUTYLTHIACARBOCYANINE IODIDE

3 3-DIBUTYLTHIACARBOCYANINE IODIDE

C25H29IN2S2 (548.0816824)


   

1-[2-[[4-[(2-bromo-4,6-dinitrophenyl)azo]-m-tolyl]ethylamino]ethyl]pyridinium chloride

1-[2-[[4-[(2-bromo-4,6-dinitrophenyl)azo]-m-tolyl]ethylamino]ethyl]pyridinium chloride

C22H22BrClN6O4 (548.0574342)


   
   

4,7-Dibromo-5,6-bis(octyloxy)-2,1,3-benzothiadiazole

4,7-Dibromo-5,6-bis(octyloxy)-2,1,3-benzothiadiazole

C22H34Br2N2O2S (548.0707584)


   
   

1,2-Bis(2,4-dimethyl-5-phenyl-3-thienyl)-3,3,4,4,5,5-hexafluoro-1-cyclopentene

1,2-Bis(2,4-dimethyl-5-phenyl-3-thienyl)-3,3,4,4,5,5-hexafluoro-1-cyclopentene

C29H22F6S2 (548.1067044)


   

Gadopentetate

gadopentetic acid

C14H20GdN3O10 (548.038975)


V - Various > V08 - Contrast media > V08C - Magnetic resonance imaging contrast media > V08CA - Paramagnetic contrast media

   

3-(perfluorooctyl)-2-hydroxypropyl acrylate

3-(perfluorooctyl)-2-hydroxypropyl acrylate

C14H9F17O3 (548.0280207999999)


   

(R)-2-(4-(6-(4-Chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)-2-methoxyphenoxy)-1-cyclopropylethyl dihydrogen phosphate

(R)-2-(4-(6-(4-Chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)-2-methoxyphenoxy)-1-cyclopropylethyl dihydrogen phosphate

C24H22ClN2O7PS (548.0573822)


   
   

4-(N-(S-Glutathionylacetyl)amino)phenylarsonous acid

4-(N-(S-Glutathionylacetyl)amino)phenylarsonous acid

C18H25AsN4O9S (548.055814)


   
   

delphinidin 3-O-(6-O-malonyl)-beta-glucoside

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

[(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

C16H26N2O15P2 (548.0808386)


   
   

dTDP-6-deoxy-alpha-D-allose

dTDP-6-deoxy-alpha-D-allose

C16H26N2O15P2 (548.0808386)


   

Uridine 5-diphospo-6-deoxy-alpha-D-glucopyranoside

Uridine 5-diphospo-6-deoxy-alpha-D-glucopyranoside

C15H22N2O16P2-2 (548.0444552)


   
   
   
   

quercetin 3-O-(6-O-malonyl)galactoside

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

[(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

C16H26N2O15P2 (548.0808386)


   

[(2R,3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate

[(2R,3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate

C15H22N2O16P2 (548.0444552)


   

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-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

C25H24O14 (548.1166003999999)


   

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

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

C26H25ClO11 (548.108533)


   

(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

(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

C25H24O14 (548.1166003999999)


   

Deoxythymidine diphosphate-l-rhamnose

Deoxythymidine diphosphate-l-rhamnose

C16H26N2O15P2 (548.0808386)


   
   
   
   

dTDP-beta-D-fucofuranose

dTDP-beta-D-fucofuranose

C16H26N2O15P2 (548.0808386)


A dTDP-sugar having beta-D-fucofuranose as the sugar component.

   
   
   

thymidine 5-[3-(6-deoxy-D-galactopyranosyl) dihydrogen diphosphate]

thymidine 5-[3-(6-deoxy-D-galactopyranosyl) dihydrogen diphosphate]

C16H26N2O15P2 (548.0808386)


   

[(3R,4R,6R)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate

[(3R,4R,6R)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate

C15H22N2O16P2 (548.0444552)


   

(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

(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

C26H25FO10S (548.1152402)


   

({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

({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

C21H24O15S (548.0835874)


   

(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

(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

C26H25FO10S (548.1152402)


   

UDP-4-dehydro-6-deoxy-D-glucose

UDP-4-dehydro-6-deoxy-D-glucose

C15H22N2O16P2 (548.0444552)


   
   
   
   

dTDP-alpha-L-rhamnose

dTDP-alpha-L-rhamnose

C16H26N2O15P2 (548.0808386)


The alpha-anomer of dTDP-L-rhamnose.

   

UDP-4-dehydro-6-deoxyglucose

UDP-4-dehydro-6-deoxyglucose

C15H22N2O16P2 (548.0444552)


   

APS6-45

APS6-45

C23H16F8N4O3 (548.1094602)


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-{[(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

C25H24O14 (548.1166003999999)