Exact Mass: 437.0862
Exact Mass Matches: 437.0862
Found 136 metabolites which its exact mass value is equals to given mass value 437.0862,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Glucoraphanin
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
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
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
(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
N-Acetylcochinol-O-phosphate
Aleglitazar
2-[6,8-Dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
Isavuconazole
Ravuconazole
Ethyl 3-[[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]methyl]pyrrolidine-1-carboxylate
beta-D-Glucopyranose, 1-thio-, 1-(5-(methylsulfinyl)-N-(sulfooxy)pentanimidate)
N-[2-[(R)-[3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-pyrrol-3-yl]benzamide
Glucoraphanin
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.
(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
Hysco
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)
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3-Phenylpropyl glucosinolate
[(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-(1,3-dioxoisoindol-2-yl)-6-fluorooxan-2-yl]methyl acetate
Ravuconazole
C254 - Anti-Infective Agent > C514 - Antifungal Agent
(4-nitrophenyl) (2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanoate,hydrochloride
METHYL 2-([(4-CHLORO-3-NITROPHENYL)SULFONYL]AMINO)-3-(1H-INDOL-3-YL)PROPANOATE
4-[(2-chloro-4,6-dinitrophenyl)azo]-N,N-diethyl-2,5-dimethoxyaniline
methyl 4-[1-[[(2,4-dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoate
O,O-Diethylphosphoryl (Z)-2-(2-aminothiazol-4-yl)-2-(tert-Butoxycarbonylmethoxyimino)acetate
(2S,3R)-2-((S)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)Morpholine
2-Thiophenecarboxamide, 5-chloro-N-[3-[[3,5-dimethyl-4-(3-oxo-4-morpholinyl)phenyl]amino]-2-hydroxypropyl]
Cimetropium bromide
Cimetropium Bromide (DA-3177) is a mAChR antagonist for long-term treatment of irritable bowel syndrome.
Aleglitazar
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C154291 - Peroxisome Proliferator-Activated Receptor Agonist
N,N-Bis(4-sulfobutyl)-3,5-dimethylaniline disodium salt
Fominoben hydrochloride
Colazal
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D005765 - Gastrointestinal Agents D018501 - Antirheumatic Agents
2-DEOXY-2-PHTHALIMIDO-3,4,6-TRI-O-ACETYL-ALPHA-D-GALACTOPYRANOSYL FLUORIDE
(2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine
(2R)-3-(3-chloro-4-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Isavuconazole
J - Antiinfectives for systemic use > J02 - Antimycotics for systemic use > J02A - Antimycotics for systemic use > J02AC - Triazole and tetrazole derivatives D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
4-(4-Chloro-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamido)-2,6-difluorobenzoic acid
C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C804 - Retinoic Acid Agent C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
N-Acetylcochinol-O-phosphate
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent
Ethyl 3-[[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]methyl]pyrrolidine-1-carboxylate
2-Chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-diethylsulfamoyl-benzamide
Ipsapirone hydrochloride
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist
2-[6,8-Dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
2-Methoxy-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzo[b]thiophen-7-yl)propanoic acid
4-(Carbamoylamino)benzoic acid [2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] ester
beta-D-Glucopyranose, 1-thio-, 1-(5-(methylsulfinyl)-N-(sulfooxy)pentanimidate)
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
N-Acetylcochinol-O-phosphate
(E)-1-(glutathion-S-yl)-N-hydroxy-omega-(methylsulfanyl)butan-1-imine
10-[(2R,3R)-2,3-dihydroxy-3-[(4S)-2-oxido-2-oxo-1,3,2lambda5-dioxaphospholan-4-yl]propyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
beta-D-glucopyranose, 1-thio-, 1-(5-(methylsulfinyl)-N-(sulfooxy)pentanimidate)
N-[2-[(R)-[3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-pyrrol-3-yl]benzamide
(RS)-alpha-Cyano-3-phenoxybenzyl (RS)-2,2-dichloro-1-(4-ethoxyphenyl)cyclopropanecarboxylate
Cladoniamide A
An organic heterohexacyclic compound that is cladoniamide B in which the chlorine attached to the methoxy-bearing indole moiety is replaced by a hydrogen. It has been isolated from the culture broth of Streptomyces uncialis.
N-(6-methoxy-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide
N-[1-[4-(4-bromophenyl)-2-thiazolyl]-4-piperidinyl]carbamic acid tert-butyl ester
N-(1,3-benzodioxol-5-yl)-2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]acetamide
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-fluorophenyl)sulfonylethylthio]-1H-1,2,4-triazol-5-one
2-[7-chloro-2,3-dioxo-4-(phenylmethyl)-1-quinoxalinyl]-N-(3-fluorophenyl)acetamide
5-Nitro-2-furancarboxylic acid [2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl] ester
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-[2-(3-chlorophenyl)ethyl]-2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridinyl]thio]acetamide
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[[4-propyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide
(4-Difluoromethoxy-benzylidene)-[6-(4-difluoromethoxy-phenyl)-2,3-dihydro-imidazo[2,1-b]thiazol-5-yl]-amine
1-(4-fluorophenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thiourea
2-[(1S,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetic acid
2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
3-(3,4-dimethoxyphenyl)-N-{2-[3-methoxy-4-(sulfooxy)phenyl]ethyl}prop-2-enimidic acid
CGP55845 (hydrochloride)
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].
