Exact Mass: 268.0221326
Exact Mass Matches: 268.0221326
Found 390 metabolites which its exact mass value is equals to given mass value 268.0221326,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
DL-Homocystine
Homocystine is the oxidized form of homocysteine. Homocystine is a dipeptide consisting of two homocysteine molecules joined by a disulfide bond. Homocysteine is a sulfur-containing amino acid that arises during methionine metabolism. Homocystine occurs only transiently before being reduced to homocysteine and converted to the harmless cystathionine via a vitamin B6-dependent enzyme. Homocystine and homocysteine-cysteine mixed disulfides account for >98\\\\\% of total homocysteine in plasma from healthy individuals (PMID 11592966). Homocystine has been shown to stereospecifically induce endothelial nitric oxide synthase-dependent lipid peroxidation in endothelial cells, thereby inducing a vascular cell type-specific oxidative stress. This vascular stress is associated with atherothrombotic cardiovascular disease (PMID: 14980706). High levels of homocysteine (and homocysteine) can be found in individuals suffering from homocystinura due to cystathionine synthase deficiency (PMID: 4685596) Homocystine is the double-bonded form of homocysteine, but it occurs only transiently before being converted to the harmless cystathionine via a vitamin B6-dependent enzyme. Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID H041 4,4'-Disulfanediylbis(2-aminobutanoic acid) is an endogenous metabolite. DL-Homocystine is the double-bonded form of homocysteine and homocysteine is recognized as an important substance in the pathogenesis and pathophysiology of schizophrenia. L-Homocystine is the oxidized member of the L-homocysteine. Homocysteine is a pro-thrombotic factor, vasodilation impairing agent, pro-inflammatory factor and endoplasmatic reticulum-stress inducer used to study cardiovascular disease mechanisms.
Dichlorophen
CONFIDENCE standard compound; INTERNAL_ID 1137; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5088; ORIGINAL_PRECURSOR_SCAN_NO 5083 CONFIDENCE standard compound; INTERNAL_ID 1137; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5049; ORIGINAL_PRECURSOR_SCAN_NO 5048 CONFIDENCE standard compound; INTERNAL_ID 1137; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5109; ORIGINAL_PRECURSOR_SCAN_NO 5106 CONFIDENCE standard compound; INTERNAL_ID 1137; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5084; ORIGINAL_PRECURSOR_SCAN_NO 5079 CONFIDENCE standard compound; INTERNAL_ID 1137; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5069; ORIGINAL_PRECURSOR_SCAN_NO 5064 CONFIDENCE standard compound; INTERNAL_ID 1137; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5046; ORIGINAL_PRECURSOR_SCAN_NO 5041 P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02D - Anticestodals D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent D000890 - Anti-Infective Agents > D000935 - Antifungal Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3648 CONFIDENCE standard compound; INTERNAL_ID 2375
Coumesterol
Cumoesterol (or coumestrol), a coumestan isoflavone, has estrogenic properties (phytoestrogens are compounds structurally and functionally similar to 17-estradiol) and is an isoflavonoid phytoalexin produced by soybeans, a low molecular weight antimicrobial compound that is synthesized de novo and accumulates in plants after exposure to microorganisms (i.e.: phytoalexin induction and accumulation in soybean cotyledon tissue is observed with four species of Aspergillus: A. sojae, A. oryzae, A. niger, and A. flavus) (PMID: 10888516). Coumestrol is a naturally occurring plant coumarin that displays high affinity for the hormone-binding site of the human estrogen receptor (hER), for which it serves as a potent non-steroidal agonist. Coumestrol emits intense blue fluorescence when bound to this protein, making it ideally suited for use as a cytological stain to detect ER in fixed and intact cells. Such observations illustrate the potential for using coumestrol to investigate real-time effects of a variety of physiological stimuli on the subcellular distribution of hER in living cells (PMID: 8315272). Coumestrol is a member of the class of coumestans that is coumestan with hydroxy substituents at positions 3 and 9. It has a role as an anti-inflammatory agent, an antioxidant and a plant metabolite. It is a member of coumestans, a delta-lactone and a polyphenol. It is functionally related to a coumestan. Coumestrol is a natural product found in Campylotropis hirtella, Melilotus messanensis, and other organisms with data available. A daidzein derivative occurring naturally in forage crops which has some estrogenic activity. See also: Medicago sativa whole (part of). Isolated from Medicago subspecies, Glycine max (soybean), Pisum sativum (pea), Spinacia oleracea (spinach), Brassica oleracea (cabbage), Dolichos biflorus (papadi), Melilotus alba (white melilot), Phaseolus subspecies (inc. lima beans, pinto beans) and Vigna unguiculata (all Leguminosae). Potential nutriceutical D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens A member of the class of coumestans that is coumestan with hydroxy substituents at positions 3 and 9. Coumestrol, a phytoestrogen present in soybean products, exhibits activities against cancers, neurological disorders, and autoimmune diseases. It suppresses proliferation of ES2 cells with an IC50 of 50 μM. Coumestrol, a phytoestrogen present in soybean products, exhibits activities against cancers, neurological disorders, and autoimmune diseases. It suppresses proliferation of ES2 cells with an IC50 of 50 μM.
phenazine-1,6-dicarboxylate
A member of the class of phenazines carrying carboxy substituents at positions 1 and 6. A natural product found in Streptomyces species. CONFIDENCE standard compound; INTERNAL_ID 187
Glycine-betaxanthin
DL-Homocystine
4,4'-Disulfanediylbis(2-aminobutanoic acid) is an endogenous metabolite. DL-Homocystine is the double-bonded form of homocysteine and homocysteine is recognized as an important substance in the pathogenesis and pathophysiology of schizophrenia.
5-(4-Chloro-3-hydroxy-1-butynyl)-2,2'-bithiophene
5-(4-Chloro-3-hydroxy-1-butynyl)-2,2-bithiophene is found in herbs and spices. 5-(4-Chloro-3-hydroxy-1-butynyl)-2,2-bithiophene is isolated from Tagetes minuta (Mexican marigold). Isolated from Tagetes minuta (Mexican marigold). 5-(4-Chloro-3-hydroxy-1-butynyl)-2,2-bithiophene is found in herbs and spices.
(-)-Dioxibrassinin
(-)-Dioxibrassinin is found in brassicas. (-)-Dioxibrassinin is an alkaloid from cabbage inoculated with Pseudomonas cichorii. Alkaloid from cabbage inoculated with Pseudomonas cichorii. (-)-Dioxibrassinin is found in cauliflower and brassicas.
L-Homocystine
Homocystine is the oxidized form of homocysteine. Homocystine is a dipeptide consisting of two homocysteine molecules joined by a disulfide bond. Homocysteine is a sulfur-containing amino acid that arises during methionine metabolism. Homocystine occurs only transiently before being reduced to homocysteine and converted to the harmless cystathionine via a vitamin B6-dependent enzyme. Homocystine and homocysteine-cysteine mixed disulfides account for >98\\\% of total homocysteine in plasma from healthy individuals (PMID 11592966). Homocystine has been shown to stereospecifically induce endothelial nitric oxide synthase-dependent lipid peroxidation in endothelial cells, thereby inducing a vascular cell type-specific oxidative stress. This vascular stress is associated with atherothrombotic cardiovascular disease (PMID: 14980706). High levels of homocysteine (and homocysteine) can be found in individuals suffering from homocystinura due to cystathionine synthase deficiency (PMID: 4685596) Homocystine is the double-bonded form of homocysteine, but it occurs only transiently before being converted to the harmless cystathionine via a vitamin B6-dependent enzyme. L-Homocystine is the oxidized member of the L-homocysteine. Homocysteine is a pro-thrombotic factor, vasodilation impairing agent, pro-inflammatory factor and endoplasmatic reticulum-stress inducer used to study cardiovascular disease mechanisms.
DHAP(6:0)
DHAP(6:0) is the hexanoyl derivative of Dihydroxyacetone phosphate. It is also known as an alkyl-DHAP. This compound is formed by hexanoic acid reacting with DHAP. Alkyl-DHAPs are intermediates in the synthesis of ether phospholipids. The initial steps of ether phospholipid biosynthesis take place in peroxisomes. Alkyl-dihydroxyacetonephosphate synthase is the peroxisomal enzyme that actually introduces the ether linkage. Levels of Alkyl-DHAP have been found to be strongly reduced in human fibroblasts derived from Zellweger syndrome and rhizomelic chondrodysplasia punctata patients. Four other enzymes are known to be involved in the metabolism of acyl-DHAP and alkyl-DHAP. These include: acyl-DHAP/alkyl-DHAP oxidoreductase, DHAP acyltransferase, alkyl-DHAP phosphohydrolase, and a dinitrofluorobenzene-insensitive acyl-DHAP acylhydrolase. Dihydroxyacetone phosphate (DHAP) is a biochemical compound primarily involved in the glycolysis metabolic pathway. DHAP is also the product of the dehydrogenation of L-glycerol-3-phosphate which is part of the entry of glycerol (sourced from triglycerides) into the glycolytic pathway. Conversely, reduction of glycolysis-derived DHAP to L-glycerol-3-phosphate provides adipose cells with the activated glycerol backbone they require to synthesize new triglycerides. Both reactions are catalyzed by the enzyme glycerol 3-phosphate dehydrogenase with NAD+/NADH as cofactor. DHAP may be referred to as glycerone phosphate in older texts. [HMDB] DHAP(6:0) is the hexanoyl derivative of Dihydroxyacetone phosphate. It is also known as an alkyl-DHAP. This compound is formed by hexanoic acid reacting with DHAP. Alkyl-DHAPs are intermediates in the synthesis of ether phospholipids. The initial steps of ether phospholipid biosynthesis take place in peroxisomes. Alkyl-dihydroxyacetonephosphate synthase is the peroxisomal enzyme that actually introduces the ether linkage. Levels of Alkyl-DHAP have been found to be strongly reduced in human fibroblasts derived from Zellweger syndrome and rhizomelic chondrodysplasia punctata patients. Four other enzymes are known to be involved in the metabolism of acyl-DHAP and alkyl-DHAP. These include: acyl-DHAP/alkyl-DHAP oxidoreductase, DHAP acyltransferase, alkyl-DHAP phosphohydrolase, and a dinitrofluorobenzene-insensitive acyl-DHAP acylhydrolase. Dihydroxyacetone phosphate (DHAP) is a biochemical compound primarily involved in the glycolysis metabolic pathway. DHAP is also the product of the dehydrogenation of L-glycerol-3-phosphate which is part of the entry of glycerol (sourced from triglycerides) into the glycolytic pathway. Conversely, reduction of glycolysis-derived DHAP to L-glycerol-3-phosphate provides adipose cells with the activated glycerol backbone they require to synthesize new triglycerides. Both reactions are catalyzed by the enzyme glycerol 3-phosphate dehydrogenase with NAD+/NADH as cofactor. DHAP may be referred to as glycerone phosphate in older texts.
(1S,2R)-N-Methyl-1-oxo-2-pyridin-3-ylthiane-2-carbothioamide
C12H16N2OS2 (268.07040059999997)
Methyl 3-[(diethoxyphosphorothioyl)oxy]but-2-enoate
Metoprine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D000970 - Antineoplastic Agents
Pyran-3,4-dicarboxylic anhydride, tetrahydro-2-methyl-6-(tetrahydro-2,5-dioxo-3-furyl)-, polymer
Penicillamine cysteine disulfide
sparstolonin B
zardaverine
C12H10F2N2O3 (268.06594540000003)
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
Cumestrol
Coumestrol, a phytoestrogen present in soybean products, exhibits activities against cancers, neurological disorders, and autoimmune diseases. It suppresses proliferation of ES2 cells with an IC50 of 50 μM. Coumestrol, a phytoestrogen present in soybean products, exhibits activities against cancers, neurological disorders, and autoimmune diseases. It suppresses proliferation of ES2 cells with an IC50 of 50 μM.
N-(3-Cyano-4,5-dihydronaphtho[1,2-b]thiophen-2-yl)acetamide
zardaverine
C12H10F2N2O3 (268.06594540000003)
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
4-Methoxy-5-bromo-2,2-bi[1H-pyrrole]-5-carbaldehyde
(1S,5R,6R)-5,6-dihydroxy-3-(hydroxymethyl)-2-oxocyclohex-3-en-1-yl furan-2-carboxylate|epoxydine B
methyl 5-deoxy-5-(dimethylarsinoyl)-beta-D-riboside
3-hydroxymethylfuro[3,2-b]naphtho[2,3-d]furan-5,10-dione
2,5,6,7,8-pentahydroxy-3-methoxynaphthalene-1,4-dione
Homocystine
An organic disulfide obtained by oxidative dimerisation of homocysteine. 4,4'-Disulfanediylbis(2-aminobutanoic acid) is an endogenous metabolite.
L-Homocystine
A homocystine in which both chiral centres have L configuration. 4,4'-Disulfanediylbis(2-aminobutanoic acid) is an endogenous metabolite. L-Homocystine is the oxidized member of the L-homocysteine. Homocysteine is a pro-thrombotic factor, vasodilation impairing agent, pro-inflammatory factor and endoplasmatic reticulum-stress inducer used to study cardiovascular disease mechanisms.
Coumestrol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens Coumestrol, a phytoestrogen present in soybean products, exhibits activities against cancers, neurological disorders, and autoimmune diseases. It suppresses proliferation of ES2 cells with an IC50 of 50 μM. Coumestrol, a phytoestrogen present in soybean products, exhibits activities against cancers, neurological disorders, and autoimmune diseases. It suppresses proliferation of ES2 cells with an IC50 of 50 μM.
Dichlorophen
P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02D - Anticestodals D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent D000890 - Anti-Infective Agents > D000935 - Antifungal Agents CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8652
PharmaGSID_47259
CONFIDENCE standard compound; INTERNAL_ID 1376; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7067; ORIGINAL_PRECURSOR_SCAN_NO 7066 CONFIDENCE standard compound; INTERNAL_ID 1376; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7070; ORIGINAL_PRECURSOR_SCAN_NO 7068 CONFIDENCE standard compound; INTERNAL_ID 1376; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7088; ORIGINAL_PRECURSOR_SCAN_NO 7086 CONFIDENCE standard compound; INTERNAL_ID 1376; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7091; ORIGINAL_PRECURSOR_SCAN_NO 7088 CONFIDENCE standard compound; INTERNAL_ID 1376; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7102; ORIGINAL_PRECURSOR_SCAN_NO 7098
5-(4-Chloro-3-hydroxy-1-butynyl)-2,2'-bithiophene
2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid
ETHYL 6-BROMOH-PYRROLO[1,2-F]PYRIMIDINE-3-CARBOXYLATE
2,4-Imidazolidinedione,5-(3-bromophenyl)-5-methyl-
2-(6-chloropyridin-3-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonitrile
C12H7F3N2S (268.02820180000003)
methyl 3-(bromomethyl)-2-benzofurancarboxylate
C11H9BrO3 (267.97350240000003)
N-(3,4-DICHLOROPHENYL)-2-(METHYLAMINO)ACETAMIDE HYDROCHLORIDE
C9H11Cl3N2O (267.99369260000003)
4(1H)-Quinazolinone,2,3-dihydro-3-(4-methylphenyl)-2-thioxo-
aprikalim
C12H16N2OS2 (268.07040059999997)
Methyl 2-amino-5-(4-chlorophenyl)thiazole-4-carboxylate
methyl 6-bromo-2H-chromene-3-carboxylate
C11H9BrO3 (267.97350240000003)
3-[(4-CHLOROBENZYL)OXY]-2-THIOPHENECARBOXYLIC ACID
6-Bromo-8-methoxy-3-formyl-2H-chromene
C11H9BrO3 (267.97350240000003)
2-Amino-3-(2-oxo-1,2-dihydroquinolin-4-yl)propanoic acid hydrochloride
Methyl 2-amino-4-(4-chlorophenyl)thiazole-5-carboxylate
4-(FURAN-3-YL)-2-OXO-6-(THIOPHEN-2-YL)-1,2-DIHYDROPYRIDINE-3-CARBONITRILE
ethyl 6-bromobenzofuran-3-carboxylate
C11H9BrO3 (267.97350240000003)
2-(4-bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane
3-BUTYL-2-MERCAPTO-5,6-DIMETHYL-3H-THIENO[2,3-D]PYRIMIDIN-4-ONE
C12H16N2OS2 (268.07040059999997)
TRICARBONYL(1,2,3,4-TETRAHYDRONAPHTHALENE)CHROMIUM
Methyl 2-amino-4-(2-chlorophenyl)thiazole-5-carboxylate
Methyl 2-amino-4-(3-chlorophenyl)thiazole-5-carboxylate
4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carbonitrile
Sodium phosphate dibasic heptahydrate
C78275 - Agent Affecting Blood or Body Fluid > C29730 - Electrolyte Replacement Agent
2,3,6,7-naphthalenetetracarboxylic acid dianhydride
5-Ethynyl uridine
5-Ethynyluridine (5-EU) is a potent cell-permeable nucleoside can be used to label newly synthesized RNA. 5-Ethynyluridine can be used for isolation and sequencing of nascent RNA from neuronal populations in vivo. 5-Ethynyluridine can be used to identify changes in transcription in vivo in nervous system disease models[1][2]. 5-Ethynyluridine is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
l-glyceric acid calcium salt dihydrate
C6H12CaO9 (268.01072120000003)
3-Aminotyrosine dihydrochloride hydrate
C9H14Cl2N2O3 (268.03814339999997)
N-(4-(2,5-Dioxo-4-oxazolidinyl)butyl)-2,2,2-trifluoroacetamide
4-chloro-6,7-difluoro-2-(trifluoromethyl)quinazoline
Ethyl 4-bromo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
(E)-METHYL 4-(4-BROMOPHENYL)-2-OXOBUT-3-ENOATE
C11H9BrO3 (267.97350240000003)
phenyl N-(5-chloro-4-methyl-1,3-thiazol-2-yl)carbamate
6-(2-FURYL)-2-OXO-4-(2-THIENYL)-1,2-DIHYDRO-3-PYRIDINECARBONITRILE
3-(2-Hydroxyethyl)-5[1-methyl-4(1H)-pyridylidene]rhodanine
ethyl 5-(4-chlorophenyl)-1,2,4-thiadiazole-3-carboxylate
1-BROMO-IMIDAZO[1,5-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
8-CHLORO-2-CHLOROMETHYL-6-TRIFLUOROMETHYL-IMIDAZO[1,2-A]PYRIDINE
7-BROMO-4-METHYL-3,4-DIHYDRO-1H-BENZO[E][1,4]DIAZEPINE-2,5-DIONE
ETHYL5-CHLORO-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
C12H10ClFN2O2 (268.04148019999997)
2-Bromo-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid ethyl ester
4-Chloro-methyl-dioxo benzenebutanoic acid ethyl ester
Ethyl 5-bromobenzofuran-2-carboxylate
C11H9BrO3 (267.97350240000003)
1-[[2-(2,4-DICHLOROPHENYL)OXIRANYL]METHYL]-1H-IMIDAZOLE
4-(Bromomethyl)-7-methoxy-2H-chromen-2-one
C11H9BrO3 (267.97350240000003)
6-Bromo-1H-benzimidazole-2-carboxylic acid ethyl ester
5-bromo-1H-pyrrolo[2,3-c]pyridine-2-carboxylicacid ethylester
Ethyl 6-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
3-(2-Methylpyrimidin-4-yl)benzene-1-sulfonylchloride
Ethyl 5-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
ethyl 3-bromo-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
3-(2-aminoethylsulfanyl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
4-(2-FURYL)-2-OXO-6-(2-THIENYL)-1,2-DIHYDRO-3-PYRIDINECARBONITRILE
1H-PYRROLO[2,3-B]PYRIDINE, 4-BROMO-1-(TRIMETHYLSILYL)-
5-BROMO-3-((TRIMETHYLSILYL)ETHYNYL)PYRIDIN-2-AMINE
3-Bromoimidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester
(E)-METHYL 4-(3-BROMOPHENYL)-2-OXOBUT-3-ENOATE
C11H9BrO3 (267.97350240000003)
(2,5,6-TRIMETHYL-THIENO[2,3-D]PYRIMIDIN-4-YLSULFANYL)-ACETIC ACID
p-(4,5-dihydro-3,4-dimethyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid
5-(BENZO-[B]-THIOPHEN-3-YL)-3-(TRIFLUOROMETHYL)PYRAZOLE
C12H7F3N2S (268.02820180000003)
7-Bromo-2-benzofurancarboxylic acid ethyl ester
C11H9BrO3 (267.97350240000003)
Methyl 8-Bromo-6-Methylimidazo[1,2-a]pyridin-2-carboxylate
Ethyl 6-chloro-5-ethoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
4-Chloro-5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-1H-pyrrolo[2,3 -b]pyridine
ETHYL 5-BROMOBENZOFURAN-3-CARBOXYLATE
C11H9BrO3 (267.97350240000003)
Ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate
7-BROMO-PYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
nifurtoinol
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01X - Other antibacterials > J01XE - Nitrofuran derivatives C254 - Anti-Infective Agent > C255 - Urinary Anti-Infective Agent D000890 - Anti-Infective Agents
ETHYL5-CHLORO-1-(3-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
C12H10ClFN2O2 (268.04148019999997)
ETHYL5-CHLORO-1-(2-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
C12H10ClFN2O2 (268.04148019999997)
3-amino-N-tert-butyl-5-chlorothiophene-2-sulfonamide
methyl 2-(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)acetate
ethyl 6-bromo-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
2-CHLORO-N-(3-CYANO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHEN-2-YL)-ACETAMIDE
7-(CARBOXYMETHOXY)-3-CHLORO-4-METHYLCOUMARIN
C12H9ClO5 (268.01384939999997)
Ethyl 6-bromo-1H-pyrrolo[1,2-a]pyrazine-3-carboxylate
3-CHLORO-N-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YL)PROPANAMIDE
Ethyl 4-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
4-chloro-2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidine
1-ACETYL-6,6-DIMETHYL-3-(METHYLTHIO)-4,5,6,7-TETRAHYDROBENZO[C]THIOPHEN-4-ONE
4,5-DICHLORO-2-(4-METHYLBENZYL)-2,3-DIHYDROPYRIDAZIN-3-ONE
5-(2-bromoacetyl)-4-methylisobenzofuran-1(3H)-one
C11H9BrO3 (267.97350240000003)
4-(2-Methylpropoxy)-1,3-benzenedicarbothioamide
C12H16N2OS2 (268.07040059999997)
2-Carboxymethoxy-5-methylbenzenesulfonic Acid Sodium Salt
2-(2,4-DICHLOROBENZOYL)-3-(DIMETHYLAMINO)ACRYLONITRILE
3-METHYL-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOLE-6-SULFONYL CHLORIDE
ethyl 2-[(2-chlorophenyl)hydrazinylidene]-3-oxo-butanoate
(2-Methyl-5-((trifluoromethyl)sulfonyl)phenyl)boronic acid
4-Chloro-2-(pyridin-2-yl)-6-(pyridin-3-yl)-pyrimidine
7-Bromoimidazo[1,2-a]pyridine-3-carboxylic acid ethyl ester
4-(ACETYLAMINO)-6-NITRO-1,3-BENZENEDICARBOXYLIC ACID
4-(3,4-DIFLUOROPHENYL)-1,2,3,4-TETRAHYDRO-6-METHYL-2-OXO-5-PYRIMIDINECARBOXYLIC
C12H10F2N2O3 (268.06594540000003)
METHYL 5-CYANO-2-(DIMETHOXYMETHYL)-6-MERCAPTONICOTINATE
4-methylumbelliferyl phosphate, dilithium salt
C10H7Li2O6P (268.03003520000004)
5-(3,4,5-TRIMETHOXY-PHENYL)-[1,3,4]OXADIAZOLE-2-THIOL
(4-((4H-1,2,4-Triazol-4-yl)carbamoyl)phenyl)boronic acid hydrochloride
[4-methylsulfonyl-2-(trifluoromethyl)phenyl]boronic acid
Methyl 7-bromo-2H-chromene-3-carboxylate
C11H9BrO3 (267.97350240000003)
Dazoxiben hydrochloride
C78275 - Agent Affecting Blood or Body Fluid > C29750 - Thrombolytic Agent D004791 - Enzyme Inhibitors
2-Butenoic acid 3-(diethoxyphosphinothioyl)methyl ester
6-(2,5-Dioxotetrahydrofuran-3-yl)-4-methyltetrahydro-1H-furo[3,4-c]pyran-1,3(6H)-dione
5-Imino-4-(3-trifluoromethyl-phenylazo)-5H-pyrazol-3-ylamine
5-Imino-4-(2-trifluoromethyl-phenylazo)-5H-pyrazol-3-ylamine
2-[(2,3,4-Trifluorobiphenyl-2-Yl)oxy]ethanol
C14H11F3O2 (268.07111019999996)
Metoprine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D000970 - Antineoplastic Agents
Cumostrol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens Coumestrol, a phytoestrogen present in soybean products, exhibits activities against cancers, neurological disorders, and autoimmune diseases. It suppresses proliferation of ES2 cells with an IC50 of 50 μM. Coumestrol, a phytoestrogen present in soybean products, exhibits activities against cancers, neurological disorders, and autoimmune diseases. It suppresses proliferation of ES2 cells with an IC50 of 50 μM.
3-methyl-N-(4-methyl-5-oxodithiolo[4,3-b]pyrrol-6-yl)but-2-enamide
(E)-2-methyl-N-(4-methyl-5-oxodithiolo[4,3-b]pyrrol-6-yl)but-2-enamide
5-amino-2-(aminomethyl)-4,8-dioxo-1,3-dioxocane-2-sulfonic acid
7-(2-amino-2-carboxyethyl)-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazin-3-one
A member of the class of benzothiazines that is 3,4-dihydro-2H-1,4-benzothiazin-3-one bearing additional hydroxy and 2-amino-2-carboxyethyl substituents at positions 5 and 7 respectively.
3-Bromo-7-hydroxy-4,8-dimethylcoumarin
C11H9BrO3 (267.97350240000003)
2-[(4-Amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoic acid
C8H7Cl2FN2O3 (267.98177439999995)
5-chloro-4-[(2E)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one
C10H9ClN4OS (268.01855739999996)
3-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)oxirane-2-carboxylic acid
(4S,5S)-2-(1-Bromoethyl)-4,5-bis(methoxymethyl)-1,3-dioxolane
(5aS)-5,5a-Dihydrophenazine-1,6-dicarboxylate
A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of (5aS)-5,5a-dihydrophenazine-1,6-dicarboxylic acid; major species at pH 7.3.
(2S)-2-amino-4-[(3-amino-3-carboxypropyl)disulfanyl]butanoic acid
1-Caproyl-sn-glycero-3-phosphate(2-)
A 1-acyl-sn-glycero-3-phosphate(2-) in which the acyl group is specified as caproyl (hexanoyl).
homocystine zwitterion
Dizwitterionic form of homocystine arising from transfer of two protons from the carboxy to the amino groups; major species at pH 7.3.
3-Bromocytisine
3-Bromocytisine (3-Br-cytisine) is a potent nACh receptors agonist, with IC50s are 0.28, 0.30 and 31.6 nM for hα4β4, hα4β2, and hα7-nACh, respectively. 3-Bromocytisine (3-Br-cytisine) shows different effects on high (HS) and low (LS) ACh sensitivity α4β2 nAChRs with EC50s are 8 and 50 nM, respectively[1][2].
VU0364770 (hydrochloride)
VU0364770 hydrochloride is a selective and potent positive allosteric modulator (PAM) of mGlu4. VU0346770 hydrochloride exhibits EC50s of 290 nM and 1.1 μM at rat mGlu4 and human mGlu4 receptor, respectively. VU0364770 hydrochloride exhibits antagonist activity at mGlu5 with a potency of 17.9 μM and PAM activity at mGlu6 with a potency of 6.8 μM. VU0364770 hydrochloride also possesses activity at MAO with Ki values of 8.5 and 0.72 μM for human MAO-A and human MAO-B, respectively[1].
9-chloro-3-(methylsulfanyl)-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,8-triene-10,11-dione
4,5-dihydroxyanthraquinone-2-carboxylic acid; aldehyde
{"Ingredient_id": "HBIN010019","Ingredient_name": "4,5-dihydroxyanthraquinone-2-carboxylic acid; aldehyde","Alias": "NA","Ingredient_formula": "C15H8O5","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7915","PubChem_id": "NA","DrugBank_id": "NA"}
4-hydroxy-2-carboxyanthraquinone
{"Ingredient_id": "HBIN010449","Ingredient_name": "4-hydroxy-2-carboxyanthraquinone","Alias": "NA","Ingredient_formula": "C15H8O5","Ingredient_Smile": "C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9890","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}