Exact Mass: 437.0179

Exact Mass Matches: 437.0179

Found 51 metabolites which its exact mass value is equals to given mass value 437.0179, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Glucoraphanin

{[(Z)-(5-methanesulfinyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pentylidene)amino]oxy}sulfonic acid

C12H23NO10S3 (437.0484)


Glucoraphanin belongs to the class of organic compounds known as alkylglucosinolates. These are organic compounds containing a glucosinolate moiety that carries an alkyl chain. Outside of the human body, glucoraphanin has been detected, but not quantified in, several different foods, such as radish, common cabbages, Brassicas, Chinese cabbages, and cabbages. This could make glucoraphanin a potential biomarker for the consumption of these foods. Isolated from radish (Raphanus sativus) and Brassica species seeds or tops. Glucoraphanin is found in many foods, some of which are broccoli, white cabbage, cauliflower, and chinese cabbage. Acquisition and generation of the data is financially supported in part by CREST/JST. Glucoraphanin, a natural glucosinolate found in cruciferous vegetable, is a stable precursor of the Nrf2 inducer sulforaphane, which possesses antioxidant, anti-inflammatory, and anti-carcinogenic effects. Glucoraphanin, a natural glucosinolate found in cruciferous vegetable, is a stable precursor of the Nrf2 inducer sulforaphane, which possesses antioxidant, anti-inflammatory, and anti-carcinogenic effects.

   

Picosulfuric acid

{4-[(pyridin-2-yl)[4-(sulphooxy)phenyl]methyl]phenyl}oxidanesulphonic acid

C18H15NO8S2 (437.0239)


   

tigemonam

2-{[({[2,2-dimethyl-4-oxo-1-(sulphooxy)azetidin-3-yl]carbamoyl}(2-imino-2,3-dihydro-1,3-thiazol-4-yl)methylidene)amino]oxy}acetic acid

C12H15N5O9S2 (437.0311)


   

beta-D-Glucopyranose, 1-thio-, 1-(5-(methylsulfinyl)-N-(sulfooxy)pentanimidate)

{[(5-methanesulphinyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}pentylidene)amino]oxy}sulphonic acid

C12H23NO10S3 (437.0484)


   

[2-(Pyridin-2-ylmethyl)-4-(4-sulfooxyphenyl)phenyl] hydrogen sulfate

{3-[(pyridin-2-yl)methyl]-4-(sulphooxy)-[1,1-biphenyl]-4-yl}oxidanesulphonic acid

C18H15NO8S2 (437.0239)


   

Glucoraphanin

(((5-(Methylsulfinyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)pentylidene)amino)oxy)sulfonic acid

C12H23NO10S3 (437.0484)


A thia-glucosinolic acid that is glucoerucin in which the sulfur atom of the methyl thioether group has been oxidised to the corresponding sulfoxide. Acquisition and generation of the data is financially supported by the Max-Planck-Society Glucoraphanin is under investigation in clinical trial NCT01879878 (Pilot Study Evaluating Broccoli Sprouts in Advanced Pancreatic Cancer [POUDER Trial]). Glucoraphanin is a natural product found in Arabidopsis thaliana, Brassica, and Raphanus sativus with data available. Glucoraphanin, a natural glucosinolate found in cruciferous vegetable, is a stable precursor of the Nrf2 inducer sulforaphane, which possesses antioxidant, anti-inflammatory, and anti-carcinogenic effects. Glucoraphanin, a natural glucosinolate found in cruciferous vegetable, is a stable precursor of the Nrf2 inducer sulforaphane, which possesses antioxidant, anti-inflammatory, and anti-carcinogenic effects.

   
   
   
   
   

SCHEMBL13146532

SCHEMBL13146532

C22H15NO7S (437.0569)


   

SCHEMBL13146533

SCHEMBL13146533

C22H15NO7S (437.0569)


   

Glucoraphanin (4-methylsulfinylbutyl glucosinolate)

Glucoraphanin (4-methylsulfinylbutyl glucosinolate)

C12H23NO10S3 (437.0484)


   
   

(Methylsulfinyl)butyl glucosinolate

(Methylsulfinyl)butyl glucosinolate

C12H23NO10S3 (437.0484)


Annotation level-3

   

Tigemonam

Tigemonam

C12H15N5O9S2 (437.0311)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic

   

3-Iodo-1-trityl-1H-1,2,4-triazole

3-Iodo-1-trityl-1H-1,2,4-triazole

C21H16IN3 (437.0389)


   

METHYL 2-([(4-CHLORO-3-NITROPHENYL)SULFONYL]AMINO)-3-(1H-INDOL-3-YL)PROPANOATE

METHYL 2-([(4-CHLORO-3-NITROPHENYL)SULFONYL]AMINO)-3-(1H-INDOL-3-YL)PROPANOATE

C18H16ClN3O6S (437.0448)


   

Epacadostat

4-[[2-[(Aminosulfonyl)amino]ethyl]amino]-N-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide

C11H13BrFN7O4S (436.9917)


C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents C308 - Immunotherapeutic Agent > C141144 - Immune Checkpoint Modulator C471 - Enzyme Inhibitor > C141137 - IDO1 Inhibitor C274 - Antineoplastic Agent

   

Fmoc-2-amino-5-bromobenzoic acid

Fmoc-2-amino-5-bromobenzoic acid

C22H16BrNO4 (437.0263)


   

Cerium Acetyl Acetonate

Cerium Acetyl Acetonate

C15H21CeO6 (437.0392)


   
   

ETHYL 5-(4-CHLOROPHENYL)-4-(CHLOROSULFONYL)-2-METHYL-1-PHENYL-1H-PYRROLE-3-CARBOXYLATE

ETHYL 5-(4-CHLOROPHENYL)-4-(CHLOROSULFONYL)-2-METHYL-1-PHENYL-1H-PYRROLE-3-CARBOXYLATE

C20H17Cl2NO4S (437.0255)


   

(2Z)-2-(Benzoylamino)-3-[4-(2-bromophenoxy)phenyl]-2-propenoic acid

(2Z)-2-(Benzoylamino)-3-[4-(2-bromophenoxy)phenyl]-2-propenoic acid

C22H16BrNO4 (437.0263)


   

2-Chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-diethylsulfamoyl-benzamide

2-Chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-diethylsulfamoyl-benzamide

C19H20ClN3O3S2 (437.0635)


   

I-OMe-Tyrphostin AG 538

I-OMe-Tyrphostin AG 538

C17H12INO5 (436.976)


   

2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C18H11ClF3N5OS (437.0325)


   

beta-D-Glucopyranose, 1-thio-, 1-(5-(methylsulfinyl)-N-(sulfooxy)pentanimidate)

{[(5-methanesulphinyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}pentylidene)amino]oxy}sulphonic acid

C12H23NO10S3 (437.0484)


4-methylsulfinylbutyl glucosinolate is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. 4-methylsulfinylbutyl glucosinolate is soluble (in water) and an extremely strong acidic compound (based on its pKa). 4-methylsulfinylbutyl glucosinolate can be found in a number of food items such as sweet cherry, japanese chestnut, macadamia nut (m. tetraphylla), and oriental wheat, which makes 4-methylsulfinylbutyl glucosinolate a potential biomarker for the consumption of these food products.

   

2-chloro-5-(diethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide

2-chloro-5-(diethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide

C19H20ClN3O3S2 (437.0635)


   

beta-D-glucopyranose, 1-thio-, 1-(5-(methylsulfinyl)-N-(sulfooxy)pentanimidate)

beta-D-glucopyranose, 1-thio-, 1-(5-(methylsulfinyl)-N-(sulfooxy)pentanimidate)

C12H23NO10S3 (437.0484)


   

2-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-[(2,2-dimethyl-4-oxo-1-sulfooxyazetidin-3-yl)amino]-2-oxoethylidene]amino]oxyacetic acid

2-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-[(2,2-dimethyl-4-oxo-1-sulfooxyazetidin-3-yl)amino]-2-oxoethylidene]amino]oxyacetic acid

C12H15N5O9S2 (437.0311)


   

(RS)-alpha-Cyano-3-phenoxybenzyl (RS)-2,2-dichloro-1-(4-ethoxyphenyl)cyclopropanecarboxylate

(RS)-alpha-Cyano-3-phenoxybenzyl (RS)-2,2-dichloro-1-(4-ethoxyphenyl)cyclopropanecarboxylate

C24H17Cl2NO3 (437.0585)


   

Motualevic acid A

Motualevic acid A

C16H25Br2NO3 (437.0201)


An enamide obtained by the formal condensation of the amino group of glycine with the carboxy group of 14,14-dibromotetradeca-2,13-dienoic acid (the 2E stereoisomer). It is isolated from the marine sponge Siliquariaspongia sp. and exhibits antibacterial properties.

   

N-(6-methoxy-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide

C18H19N3O4S3 (437.0538)


   

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-fluorophenyl)sulfonylethylthio]-1H-1,2,4-triazol-5-one

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-fluorophenyl)sulfonylethylthio]-1H-1,2,4-triazol-5-one

C18H16FN3O5S2 (437.0515)


   

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide

C18H19N3O4S3 (437.0538)


   

N-(2,2,2-trichloro-1-diethoxyphosphorylethyl)-1-naphthalenecarboxamide

N-(2,2,2-trichloro-1-diethoxyphosphorylethyl)-1-naphthalenecarboxamide

C17H19Cl3NO4P (437.0117)


   

{5-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl}(methylsulfonyl)azanide

{5-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl}(methylsulfonyl)azanide

C15H9ClF3N2O6S- (436.9822)


   

(S)-sertaconazole cation

(S)-sertaconazole cation

C20H16Cl3N2OS+ (437.0049)


   

[4-Hydroxy-7-(sulooxymethyl)-3-(3,4,5-trihydroxyphenyl)-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium

[4-Hydroxy-7-(sulooxymethyl)-3-(3,4,5-trihydroxyphenyl)-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium

C18H13O11S+ (437.0179)


   

CGP55845 (hydrochloride)

CGP55845 (hydrochloride)

C18H23Cl3NO3P (437.0481)


CGP55845 hydrochloride is a potent and selective GABAB receptor antagonist with an IC50 of 6 nM. CGP55845 hydrochloride can be used for neurological research[1][2].

   

[(e)-{5-[(s)-methanesulfinyl]-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pentylidene}amino]oxysulfonic acid

[(e)-{5-[(s)-methanesulfinyl]-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pentylidene}amino]oxysulfonic acid

C12H23NO10S3 (437.0484)


   

[(e)-(5-methanesulfinyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pentylidene)amino]oxysulfonic acid

[(e)-(5-methanesulfinyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pentylidene)amino]oxysulfonic acid

C12H23NO10S3 (437.0484)


   

[(z)-{5-[(r)-methanesulfinyl]-1-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pentylidene}amino]oxysulfonic acid

[(z)-{5-[(r)-methanesulfinyl]-1-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pentylidene}amino]oxysulfonic acid

C12H23NO10S3 (437.0484)


   

[(e)-{5-[(r)-methanesulfinyl]-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pentylidene}amino]oxysulfonic acid

[(e)-{5-[(r)-methanesulfinyl]-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pentylidene}amino]oxysulfonic acid

C12H23NO10S3 (437.0484)


   

[(z)-{5-[(s)-methanesulfinyl]-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pentylidene}amino]oxysulfonic acid

[(z)-{5-[(s)-methanesulfinyl]-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pentylidene}amino]oxysulfonic acid

C12H23NO10S3 (437.0484)


   

1-methyl-18-oxa-7λ⁶-thia-10-azahexacyclo[15.6.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-2,4(13),6(11),14,17(24),19-hexaene-5,7,7,12,16,21-hexone

1-methyl-18-oxa-7λ⁶-thia-10-azahexacyclo[15.6.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-2,4(13),6(11),14,17(24),19-hexaene-5,7,7,12,16,21-hexone

C22H15NO7S (437.0569)


   

1-methyl-18-oxa-10λ⁶-thia-7-azahexacyclo[15.6.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-2,4(13),6(11),14,17(24),19-hexaene-5,10,10,12,16,21-hexone

1-methyl-18-oxa-10λ⁶-thia-7-azahexacyclo[15.6.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-2,4(13),6(11),14,17(24),19-hexaene-5,10,10,12,16,21-hexone

C22H15NO7S (437.0569)


   

(1s)-1-methyl-18-oxa-10λ⁶-thia-7-azahexacyclo[15.6.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-2,4(13),6(11),14,17(24),19-hexaene-5,10,10,12,16,21-hexone

(1s)-1-methyl-18-oxa-10λ⁶-thia-7-azahexacyclo[15.6.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-2,4(13),6(11),14,17(24),19-hexaene-5,10,10,12,16,21-hexone

C22H15NO7S (437.0569)


   

(1s)-1-methyl-18-oxa-7λ⁶-thia-10-azahexacyclo[15.6.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-2,4(13),6(11),14,17(24),19-hexaene-5,7,7,12,16,21-hexone

(1s)-1-methyl-18-oxa-7λ⁶-thia-10-azahexacyclo[15.6.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-2,4(13),6(11),14,17(24),19-hexaene-5,7,7,12,16,21-hexone

C22H15NO7S (437.0569)


   

{[(2e)-14,14-dibromo-1-hydroxytetradeca-2,13-dien-1-ylidene]amino}acetic acid

{[(2e)-14,14-dibromo-1-hydroxytetradeca-2,13-dien-1-ylidene]amino}acetic acid

C16H25Br2NO3 (437.0201)