Exact Mass: 544.0621

Exact Mass Matches: 544.0621

Found 63 metabolites which its exact mass value is equals to given mass value 544.0621, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

dTDP-3-methyl-4-oxo-2,6-dideoxy-L-allose

dTDP-4-dehydro-3-methyl-2,6-dideoxy-beta-L-glucose

C17H26N2O14P2 (544.0859)


   

dTDP-3-O-methyl-4-oxo-2,6-dideoxy-L-mannose

dTDP-3-O-methyl-4-oxo-2,6-dideoxy-L-mannose; dTDP-4-keto-3-O-methyl-2,6-dideoxy-L-mannose

C17H26N2O14P2 (544.0859)


   

dTDP-3-methyl-4-oxo-2,6-dideoxy-D-glucose

dTDP-3-methyl-4-oxo-2,6-dideoxy-D-glucose

C17H26N2O14P2 (544.0859)


   

8-Hydroxyluteolin 8-glucoside 3'-sulfate

[5-(5,7-Dihydroxy-4-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-2-yl)-2-hydroxyphenyl]oxidanesulphonic acid

C21H20O15S (544.0523)


8-Hydroxyluteolin 8-glucoside 3-sulfate is found in green vegetables. 8-Hydroxyluteolin 8-glucoside 3-sulfate is isolated from high mallow (Malva sylvestris).

   

2-Cl-IB-Meca

5-(2-Chloro-6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboximidate

C18H18ClIN6O4 (544.0123)


   

Eumelanins

7-(2-amino-2-carboxyethyl)-2-[7-(2-amino-2-carboxyethyl)-5-oxo-5H-1,4-benzothiazin-2-yl]-5-hydroxy-4H-1,4-benzothiazine-3-carboxylic acid

C23H20N4O8S2 (544.0723)


   

DTXSID10953179

DTXSID10953179

C29H20O11 (544.1006)


   

Quercetin 3-(3-sulfatoglucoside)

3,5,7,3,4-Pentahydroxyflavone 3- (3"-sulfatoglucoside)

C21H20O15S (544.0523)


   
   

Glucobrassicin-1-sulfate

1-Sulfo-indol-3-ylmethyl glucosinolate

C16H20N2O13S3 (544.0128)


   

Hypolaetin 7-sulfate-8-glucoside

2- (3,4-Dihydroxyphenyl) -8- (beta-D-glucopyranosyloxy) -5-hydroxy-7- (sulfooxy) -4H-1-benzopyran-4-one

C21H20O15S (544.0523)


   

Quercetin 3-glucoside-3-sulfate

3- (beta-D-Glucopyranosyloxy) -5,7-dihydroxy-2- [ 4-hydroxy-3- (sulfooxy) phenyl ] -4H-1-benzopyran-4-one

C21H20O15S (544.0523)


   

8-Hydroxyluteolin 8-glucoside-3-sulfate

5,7,8,3,4-Pentahydroxyflavone 8-glucoside-3-sulfate

C21H20O15S (544.0523)


   
   
   
   

8-Hydroxyluteolin 8-glucoside 3'-sulfate

[5-(5,7-dihydroxy-4-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-2-yl)-2-hydroxyphenyl]oxidanesulfonic acid

C21H20O15S (544.0523)


   

2-[4-Chloro-2-(3-chloro-5-cyanobenzoyl)phenoxy]-N-[3-fluoro-4-(2- hydroxy-2-methylpropoxy)-2-methylphenyl]acetamide

2-[4-Chloro-2-(3-chloro-5-cyanobenzoyl)phenoxy]-N-[3-fluoro-4-(2- hydroxy-2-methylpropoxy)-2-methylphenyl]acetamide

C27H23Cl2FN2O5 (544.0968)


   

Ethanaminium,2,2-[(1,4-dioxo-1,4-butanediyl)bis(oxy)]bis[N,N,N-trimethyl-, iodide (1:2)

Ethanaminium,2,2-[(1,4-dioxo-1,4-butanediyl)bis(oxy)]bis[N,N,N-trimethyl-, iodide (1:2)

C14H30I2N2O4 (544.0295)


   

3,3-Diethylthiatricarbocyanine iodide

3,3-Diethylthiatricarbocyanine iodide

C25H25IN2S2 (544.0504)


   

Chloro-IB-MECA

Chloro-IB-MECA

C18H18ClIN6O4 (544.0123)


D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058913 - Purinergic Agonists C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor Namodenoson (CF-102) is a selective A3 adenosine receptor (A3AR) agonist (Ki=0.33 nM). Namodenoson displays 2500- and 1400-fold selectivity over A1 and A2A receptors respectively[1][2]. Namodenoson (CF-102) is a selective A3 adenosine receptor (A3AR) agonist (Ki=0.33 nM). Namodenoson displays 2500- and 1400-fold selectivity over A1 and A2A receptors respectively[1][2].

   

sodium 5,6,9,14,15,18-hexahydro-5,9,14,18-tetraoxoanthrazinesulphonate

sodium 5,6,9,14,15,18-hexahydro-5,9,14,18-tetraoxoanthrazinesulphonate

C28H13N2NaO7S (544.0341)


   

diphenyl 3,6-bis(4-chlorophenyl)-1,2,4,5-tetrazine-1,2-dicarboxylate

diphenyl 3,6-bis(4-chlorophenyl)-1,2,4,5-tetrazine-1,2-dicarboxylate

C28H18Cl2N4O4 (544.0705)


   

TRIPHENYLPHOSPHINE(2 5-NORBORNADIENE)RH&

TRIPHENYLPHOSPHINE(2 5-NORBORNADIENE)RH&

C25H23BF4PRh- (544.0621)


   

Opigolix

Opigolix

C25H19F3N4O5S (544.1028)


C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C2092 - Gonadotropin Releasing Hormone Antagonist

   
   

2(3)-O-N-Methylanthraniloyl-adenosine-5-diphosphate

2(3)-O-N-Methylanthraniloyl-adenosine-5-diphosphate

C18H22N6O10P2 (544.0873)


   

dTDP-4-dehydro-6-deoxy-alpha-D-glucose(2-)

dTDP-4-dehydro-6-deoxy-alpha-D-glucose(2-)

C16H22N2O15P2-2 (544.0495)


COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   
   

dTDP-beta-L-4-epi-vancosamine(1-)

dTDP-beta-L-4-epi-vancosamine(1-)

C17H28N3O13P2- (544.1097)


   

dTDP-4-dehydro-beta-L-rhamnose(2-)

dTDP-4-dehydro-beta-L-rhamnose(2-)

C16H22N2O15P2-2 (544.0495)


   

dTDP-3-dehydro-6-deoxy-alpha-D-glucose(2-)

dTDP-3-dehydro-6-deoxy-alpha-D-glucose(2-)

C16H22N2O15P2-2 (544.0495)


   

dTDP-4-dehydro-6-deoxy-alpha-D-gulose(2-)

dTDP-4-dehydro-6-deoxy-alpha-D-gulose(2-)

C16H22N2O15P2-2 (544.0495)


   

dTDP-3-dehydro-6-deoxy-alpha-D-galactose(2-)

dTDP-3-dehydro-6-deoxy-alpha-D-galactose(2-)

C16H22N2O15P2-2 (544.0495)


   

dTDP-beta-L-vancosamine(1-)

dTDP-beta-L-vancosamine(1-)

C17H28N3O13P2- (544.1097)


   
   

dTDP-4-dehydro-3-methyl-2,6-dideoxy-beta-L-glucose

dTDP-4-dehydro-3-methyl-2,6-dideoxy-beta-L-glucose

C17H26N2O14P2 (544.0859)


   

dTDP-4-dehydro-6-deoxy-D-galactose(2-)

dTDP-4-dehydro-6-deoxy-D-galactose(2-)

C16H22N2O15P2-2 (544.0495)


   

[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate

[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate

C17H26N2O14P2-2 (544.0859)


   

[(2R,4S,6R)-4-hydroxy-4,6-dimethyl-5-oxooxan-2-yl] [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate

[(2R,4S,6R)-4-hydroxy-4,6-dimethyl-5-oxooxan-2-yl] [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate

C17H26N2O14P2 (544.0859)


   

dTDP-4-dehydro-6-deoxy-L-mannose(2-)

dTDP-4-dehydro-6-deoxy-L-mannose(2-)

C16H22N2O15P2-2 (544.0495)


   

1-[[(4S,5R)-8-bromo-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea

1-[[(4S,5R)-8-bromo-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea

C21H29BrN4O6S (544.0991)


   

(2S,4S,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]-9-purinyl]-3,4-dihydroxy-N-methyl-2-oxolanecarboxamide

(2S,4S,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]-9-purinyl]-3,4-dihydroxy-N-methyl-2-oxolanecarboxamide

C18H18ClIN6O4 (544.0123)


   
   

dTDP-4-dehydro-6-deoxy-beta-D-gulose(2-)

dTDP-4-dehydro-6-deoxy-beta-D-gulose(2-)

C16H22N2O15P2-2 (544.0495)


   

[(4R,6S)-4-hydroxy-4,6-dimethyl-5-oxooxan-2-yl] [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate

[(4R,6S)-4-hydroxy-4,6-dimethyl-5-oxooxan-2-yl] [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate

C17H26N2O14P2 (544.0859)


   

[5-[5,7-dihydroxy-4-oxo-3-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]-2-hydroxyphenyl] hydrogen sulfate

[5-[5,7-dihydroxy-4-oxo-3-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]-2-hydroxyphenyl] hydrogen sulfate

C21H20O15S (544.0523)


   

5-[2-chloro-6-[(3-iodophenyl)methylamino]-9-purinyl]-3,4-dihydroxy-N-methyl-2-oxolanecarboxamide

5-[2-chloro-6-[(3-iodophenyl)methylamino]-9-purinyl]-3,4-dihydroxy-N-methyl-2-oxolanecarboxamide

C18H18ClIN6O4 (544.0123)


   

8-Hydroxyluteolin 8-glucoside 3-sulfate

8-Hydroxyluteolin 8-glucoside 3-sulfate

C21H20O15S (544.0523)


   

dTDP-beta-L-mycarose(2-)

dTDP-beta-L-mycarose(2-)

C17H26N2O14P2 (544.0859)


A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of dTDP-beta-L-mycarose; major species at pH 7.3.

   

dTDP-4-dehydro-6-deoxy-alpha-D-glucose(2-)

dTDP-4-dehydro-6-deoxy-alpha-D-glucose(2-)

C16H22N2O15P2 (544.0495)


Dianion of dTDP-4-dehydro-6-deoxy-alpha-D-glucose arising from deprotonation of the diphosphate OH groups; major species at pH 7.3. It is an intermediate in dTDP-rhamnose biosynthesis.

   

dTDP-4-dehydro-6-deoxy-L-mannose(2-)

dTDP-4-dehydro-6-deoxy-L-mannose(2-)

C16H22N2O15P2 (544.0495)


Dianion of dTDP-4-dehydro-6-deoxy-L-mannose arising from deprotonation of both free OH groups of the diphosphate.

   

TDP-actinospectose(2-)

TDP-actinospectose(2-)

C16H22N2O15P2 (544.0495)


A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of TDP-actinospectose; major species at pH 7.3.

   

ML154

ML154

C29H26BrN2PS (544.0738)


ML154 (NCGC84) is a selective, brain-penetrant and non-peptide neuropeptide S receptor (NPSR) antagonist with a pA2 of 9.98. ML154 potently inhibits NPS-stimulated cellular calcium, cAMP, and ERK phosphorylation responses with IC50 values of 36.5 nM, 22.1 nM, and 9.3 nM, respectively[1][2].

   

(1s,4r,15s,26s,27s)-8,11,16,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone

(1s,4r,15s,26s,27s)-8,11,16,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone

C29H20O11 (544.1006)


   

(1r,3s,4r,7r,8s,12s,13r)-3,4,7-trihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-18-methyl-9-oxa-14,15,16-trithia-10,18-diazatetracyclo[10.4.2.0¹,¹⁰.0³,⁸]octadec-5-ene-11,17-dione

(1r,3s,4r,7r,8s,12s,13r)-3,4,7-trihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-18-methyl-9-oxa-14,15,16-trithia-10,18-diazatetracyclo[10.4.2.0¹,¹⁰.0³,⁸]octadec-5-ene-11,17-dione

C21H24N2O9S3 (544.0644)


   

3,4,7-trihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-18-methyl-9-oxa-14,15,16-trithia-10,18-diazatetracyclo[10.4.2.0¹,¹⁰.0³,⁸]octadec-5-ene-11,17-dione

3,4,7-trihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-18-methyl-9-oxa-14,15,16-trithia-10,18-diazatetracyclo[10.4.2.0¹,¹⁰.0³,⁸]octadec-5-ene-11,17-dione

C21H24N2O9S3 (544.0644)


   

[(2s,4s,5r)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid

[(2s,4s,5r)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid

C21H20O15S (544.0523)


   

4-hydroxy-1-[(2s,4s,5s)-4-hydroxy-5-{2-[oxido([(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl phosphonato]oxy)phosphoryl]ethyl}oxolan-2-yl]-5-methyl-2-oxo-5h-1λ⁵-pyrimidine-1,5-bis(ylium)

4-hydroxy-1-[(2s,4s,5s)-4-hydroxy-5-{2-[oxido([(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl phosphonato]oxy)phosphoryl]ethyl}oxolan-2-yl]-5-methyl-2-oxo-5h-1λ⁵-pyrimidine-1,5-bis(ylium)

C17H26N2O14P2 (544.0859)


   

8,11,16,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone

8,11,16,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone

C29H20O11 (544.1006)


   

[5-(5,7-dihydroxy-4-oxo-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-yl)-2-hydroxyphenyl]oxidanesulfonic acid

[5-(5,7-dihydroxy-4-oxo-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-yl)-2-hydroxyphenyl]oxidanesulfonic acid

C21H20O15S (544.0523)


   

(1s,4r,15r,26s,27r)-8,11,16,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone

(1s,4r,15r,26s,27r)-8,11,16,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone

C29H20O11 (544.1006)