Exact Mass: 437.0821058

Exact Mass Matches: 437.0821058

Found 121 metabolites which its exact mass value is equals to given mass value 437.0821058, 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 (437.0484058)

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.

Flavopiridol HCl

Flavopiridol hydrochloride

C21H21Cl2NO5 (437.07967160000004)

C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C2185 - Cyclin-Dependent Kinase Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent D006133 - Growth Substances > D006131 - Growth Inhibitors D000970 - Antineoplastic Agents

3-Phenylpropyl glucosinolate

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

C16H23NO9S2 (437.0814188)

3-Phenylpropyl glucosinolate is found in brassicas. 3-Phenylpropyl glucosinolate is present in horseradish (Armoracia lapathifolia). Present in horseradish (Armoracia lapathifolia). 3-Phenylpropyl glucosinolate is found in horseradish and brassicas.

(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine

(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine

C20H18F7NO2 (437.1225692)

(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine is a metabolite of aprepitant. Aprepitant (Emend) is an antiemetic chemical compound that belongs to a class of drugs called substance P antagonists (SPA). It mediates its effect by blocking the neurokinin 1 (NK1) receptor. Aprepitant is manufactured by Merck & Co. under the brand name Emend for prevention of acute and delayed chemotherapy-induced nausea and vomiting (CINV) and for prevention of postoperative nausea and vomiting. It was approved by the FDA in 2003. (Wikipedia)

N-(4-(2-Chlorophenyl)-6,7-dimethyl-3-quinolyl)-N'-(2,4-difluorophenyl)urea

3-[4-(2-chlorophenyl)-6,7-dimethylquinolin-3-yl]-1-(2,4-difluorophenyl)urea

C24H18ClF2N3O (437.11063920000004)

N-Acetylcochinol-O-phosphate

({8-acetamido-13,14,15-trimethoxytricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-yl}oxy)phosphonic acid

C20H24NO8P (437.1239474)

Aleglitazar

2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid

C24H23NO5S (437.12968680000006)

2-[6,8-Dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide

C21H22Cl3N3O (437.08283720000003)

Isavuconazole

4-{2-[3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile

C22H17F2N5OS (437.11218160000004)

Ravuconazole

4-{2-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile

C22H17F2N5OS (437.11218160000004)

Ethyl 3-[[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]methyl]pyrrolidine-1-carboxylate

Ethyl 3-({[(4-chlorophenyl)methyl][(5-nitrothiophen-2-yl)methyl]amino}methyl)pyrrolidine-1-carboxylic acid

C20H24ClN3O4S (437.1175974000001)

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 (437.0484058)

N-[2-[(R)-[3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-pyrrol-3-yl]benzamide

N-(2-{[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanesulphinyl}-1H-pyrrol-3-yl)benzenecarboximidic acid

C20H18F3N3O3S (437.10209140000006)

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 (437.0484058)

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.

Annotation level-3

Pestalachloride A

C21H21Cl2NO5 (437.07967160000004)

SCHEMBL13146532

C22H15NO7S (437.05692000000005)

SCHEMBL13146533

C22H15NO7S (437.05692000000005)

spiroindimicin B

C23H17Cl2N3O2 (437.0697762)

(3S,4R,5S)-4-ethenyl-3-(beta-D-glucopyranosyloxy)-4,4a,5,6,7,8-hexahydro-8-oxo-3H-pyrano[3,4-c]pyridine-6-sulfonic acid

C16H23NO11S (437.0991768)

caldoniamide A|cladoniamide A

C22H16ClN3O5 (437.07784360000005)

bactobolin D

C17H25Cl2N3O6 (437.11203300000005)

Hysco

BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-, (1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.)-9-METHYL-3-OXA-9-AZATRICYCLO(3.3.1.02,4)NON-7-YL ESTER, HYDROBROMIDE, HYDRATE (1:1:3), (.ALPHA.S)-

C17H21NO4.BrH.3H2O (437.10490380000005)

Scopolamine hydrobromide trihydrate appears as white orthorhombic sphenoidal crystals from water. pH of 0.05 molar solution: 5.85. (NTP, 1992) Scopolamine hydrobromide trihydrate is a hydrate that is the trihydrate form of scopolamine hydrobromide. It has a role as a mydriatic agent, a muscarinic antagonist, an anaesthesia adjuvant, an antispasmodic drug and an antiemetic. It contains a scopolamine hydrobromide (anhydrous). Scopolamine Hydrobromide is the hydrobromide salt form of scopolamine, a tropane alkaloid derived from plants of the nightshade family (Solanaceae), specifically Hyoscyamus niger and Atropa belladonna, with anticholinergic, antiemetic and antivertigo properties. Structurally similar to acetylcholine, scopolamine antagonizes acetylcholine activity mediated by muscarinic receptors located on structures innervated by postganglionic cholinergic nerves as well as on smooth muscles that respond to acetylcholine but lack cholinergic innervation. The agent is used to cause mydriasis, cycloplegia, to control the secretion of saliva and gastric acid, to slow gut motility, and prevent vomiting. An alkaloid from SOLANACEAE, especially DATURA and SCOPOLIA. Scopolamine and its quaternary derivatives act as antimuscarinics like ATROPINE, but may have more central nervous system effects. Its many uses include an anesthetic premedication, the treatment of URINARY INCONTINENCE and MOTION SICKNESS, an antispasmodic, and a mydriatic and cycloplegic. C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics C78283 - Agent Affecting Organs of Special Senses > C29706 - Mydriatic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents

Glucoraphanin (4-methylsulfinylbutyl glucosinolate)

C12H23NO10S3 (437.0484058)

MMV019721

C19H20N3O3ClS2 (437.0634560000001)

(Methylsulfinyl)butyl glucosinolate

C12H23NO10S3 (437.0484058)

Annotation level-3

Cys Asp Asn Ser

(3S)-3-[(2R)-2-amino-3-sulfanylpropanamido]-3-{[(1S)-2-carbamoyl-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}propanoic acid