Exact Mass: 250.0257512
Exact Mass Matches: 250.0257512
Found 500 metabolites which its exact mass value is equals to given mass value 250.0257512,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Sulfadiazine
Sulfadiazine is only found in individuals that have used or taken this drug. It is one of the short-acting sulfonamides used in combination with pyrimethamine to treat toxoplasmosis in patients with acquired immunodeficiency syndrome and in newborns with congenital infections. [PubChem]Sulfadiazine is a competitive inhibitor of the bacterial enzyme dihydropteroate synthetase. This enzyme is needed for the proper processing of para-aminobenzoic acid (PABA) which is essential for folic acid synthesis. The inhibited reaction is necessary in these organisms for the synthesis of folic acid. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EC - Intermediate-acting sulfonamides D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BA - Sulfonamides Antibacterial agent. It is used in some countries for control of bacterial disease in farmed fish. Not approved for aquacultural use in the USA D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; EAWAG_UCHEM_ID 179 CONFIDENCE standard compound; INTERNAL_ID 1011
4,4'-Diphenylmethane diisocyanate
C15H10N2O2 (250.07422400000002)
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Heptenophos
C9H12ClO4P (250.01617119999997)
Heptenophos is an Agricultural and veterinary insecticide. Heptenophos is used for treatment of ectoparasites in cattle, pigs, sheep and domestic pets. Also for control of aphids in glasshouse crop D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
Bisphenol S
CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7059; ORIGINAL_PRECURSOR_SCAN_NO 7056 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3374; ORIGINAL_PRECURSOR_SCAN_NO 3371 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3401; ORIGINAL_PRECURSOR_SCAN_NO 3398 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3420; ORIGINAL_PRECURSOR_SCAN_NO 3416 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7124; ORIGINAL_PRECURSOR_SCAN_NO 7120 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3421; ORIGINAL_PRECURSOR_SCAN_NO 3419 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7099; ORIGINAL_PRECURSOR_SCAN_NO 7095 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3383; ORIGINAL_PRECURSOR_SCAN_NO 3380 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7143; ORIGINAL_PRECURSOR_SCAN_NO 7141 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7085; ORIGINAL_PRECURSOR_SCAN_NO 7082 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7120; ORIGINAL_PRECURSOR_SCAN_NO 7116 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3402; ORIGINAL_PRECURSOR_SCAN_NO 3400 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1086 CONFIDENCE standard compound; INTERNAL_ID 4240 CONFIDENCE standard compound; INTERNAL_ID 8644 CONFIDENCE standard compound; INTERNAL_ID 2370
Diflunisal
Diflunisal, a salicylate derivative, is a nonsteroidal anti-inflammatory agent (NSAIA) with pharmacologic actions similar to other prototypical NSAIAs. Diflunisal possesses anti-inflammatory, analgesic and antipyretic activity. Though its mechanism of action has not been clearly established, most of its actions appear to be associated with inhibition of prostaglandin synthesis via the arachidonic acid pathway. Diflunisal is used to relieve pain accompanied with inflammation and in the symptomatic treatment of rheumatoid arthritis and osteoarthritis. N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BA - Salicylic acid and derivatives D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors 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 D004791 - Enzyme Inhibitors KEIO_ID D058
gamma-Glutamylcysteine
gamma-Glutamylcysteine is a dipeptide composed of gamma-glutamate and cysteine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. gamma-Glutamylcysteine is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. gamma-Glutamylcysteine is a product of enzyme glutamate-cysteine ligase [EC 6.3.2.2] and a substrate of enzyme glutathione synthase [EC 6.3.2.3] in the glutamate metabolism pathway (KEGG). G-Glutamylcysteine is a product of enzyme glutamate-cysteine ligase [EC 6.3.2.2] and a substrate of enzyme glutathione synthase [EC 6.3.2.3] in glutamate metabolism pathway (KEGG). gamma-Glutamyl-cysteine is found in many foods, some of which are cardamom, hyacinth bean, oil palm, and pak choy. Acquisition and generation of the data is financially supported in part by CREST/JST. Gamma-glutamylcysteine (γ-Glutamylcysteine), a dipeptide containing cysteine and glutamic acid, is a precursor to glutathione (GSH). Gamma-glutamylcysteine is a cofactor for glutathione peroxidase (GPx) to increase GSH levels[1].
4,4-Dichlorobenzophenone
C13H8Cl2O (249.99521779999998)
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1068
2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-2,4-dienoate
Thienodolin
C11H7ClN2OS (249.99676019999998)
An indole alkaloid that is a thienoindole ring with carboxamide group and chlorine substituents at positions 2 and 6 respectively.
5-Methoxycanthin-6-one
C15H10N2O2 (250.07422400000002)
5-Methoxycanthin-6-one is an alkaloid and an organic heterotetracyclic compound. 5-Methoxycanthin-6-one is a natural product found in Zanthoxylum caribaeum, Fagaropsis angolensis, and other organisms with data available. 5-Methoxycanthin-6-one is an alkaloid from the wood of Picrasma excelsa (Jamaican quassiawood
2-[(5-Methylsulfinyl)-4-penten-2-ynylidene]-1,6-dioxaspiro[4.4]non-3-ene
(7Z,11E)-2-(5-Methylsulfinyl-2-pentyn-4-enylidene)-1,6-dioxaspiro[4.4]non-3-ene is found in herbs and spices. (7Z,11E)-2-(5-Methylsulfinyl-2-pentyn-4-enylidene)-1,6-dioxaspiro[4.4]non-3-ene is isolated from Chrysanthemum coronarium (chop-suey greens
Cyclobrassinin sulfoxide
Cyclobrassinin sulfoxide is found in brassicas. Cyclobrassinin sulfoxide is isolated from leaves of brown mustard Brassica juncea (Cruciferae). Isolated from leaves of brown mustard Brassica juncea (Cruciferae). Cyclobrassinin sulfoxide is found in brassicas.
(S)-Spirobrassinin
(S)-Spirobrassinin is found in brassicas. Phytoalexin of Raphanus sativus var. hortensis (Japanese radish Daikon
(E)-2-Propenyl [3-(2-propenylthio)-2-propenyl] sulfate
(E)-2-Propenyl [3-(2-propenylthio)-2-propenyl] sulfate is found in onion-family vegetables. (E)-2-Propenyl [3-(2-propenylthio)-2-propenyl] sulfate is a constituent of garlic (Allium sativum). Constituent of garlic (Allium sativum). (E)-2-Propenyl [3-(2-propenylthio)-2-propenyl] sulfate is found in garlic and onion-family vegetables.
2-Methoxycanthin-6-one
C15H10N2O2 (250.07422400000002)
2-Methoxycanthin-6-one is an alkaloid from stem wood of Quassia amara (Surinam quassia).
Cysteinyl-Glutamate
Cysteinyl-Glutamate is a dipeptide composed of cysteine and glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Glutamylcysteine
Glutamylcysteine is a dipeptide composed of glutamate and cysteine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamylcysteine is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
3,4-Dihydroxyphenylglycol O-sulfate
3, 4-Dihydroxyphenylglycol O-sulfate is a norepinephrine metabolite, a transmitter produced by sympathetic nerves, in particular those innervating mesenteric organs. This sulfate conjugate is produced by extrahepatic tissues (mesenteric organs) and eliminated by the kidneys. (PMID: 8627312) [HMDB] 3, 4-Dihydroxyphenylglycol O-sulfate is a norepinephrine metabolite, a transmitter produced by sympathetic nerves, in particular those innervating mesenteric organs. This sulfate conjugate is produced by extrahepatic tissues (mesenteric organs) and eliminated by the kidneys. (PMID: 8627312).
3,5-Dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acid
C9H8Cl2O4 (249.97996279999998)
3,5-Dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acid is a food additive; residue present in orthomycin antibiotics. D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens Food additive; residue present in orthomycin antibiotics
2-Propenyl 3-(2-propenylsulfonyl)-1-propenyl disulfide
2-Propenyl 3-(2-propenylsulfonyl)-1-propenyl disulfide is found in onion-family vegetables. 2-Propenyl 3-(2-propenylsulfonyl)-1-propenyl disulfide is isolated from garli Isolated from garlic. 2-Propenyl 3-(2-propenylsulfonyl)-1-propenyl disulfide is found in onion-family vegetables.
Hydroxymethoxyphenylcarboxylic acid-O-sulphate
Hydroxymethoxyphenylcarboxylic acid-O-sulphate is a conjugate of hydroxymethoxyphenylcarboxylic acid and sulphate.
4-Chloro-5-sulfamoylanthranilic acid
4-Chloro-5-sulfamoylanthranilic acid is a metabolite of furosemide. Furosemide or frusemide is a loop diuretic used in the treatment of congestive heart failure and edema. It is most commonly marketed by Sanofi-Aventis under the brand name Lasix. It has also been used to prevent Thoroughbred and Standardbred race horses from bleeding through the nose during races. Along with some other diuretics, furosemide is also included on the World Anti-Doping Agencys banned drug list due to its alleged use as a masking agent for other drugs. (Wikipedia)
3,5-dihydroxy-4-(sulfooxy)benzoic acid
3,5-dihydroxy-4-(sulfooxy)benzoic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3,4,5-trihydroxybenzoic acid. It is generated by Sulfotransferase 1A3 (P0DMM9) and Sulfotransferase enzymes via a -4-O-sulfation-of-phenolic-compound reaction. This -4-O-sulfation-of-phenolic-compound occurs in humans.
Tris(2-carboxyethyl)phosphine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
Benzene, 1,1'-ethylidenebis(4-chloro-
(4S)-4-Amino-5-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-5-oxopentanoic acid
(2S)-2-Amino-5-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-5-oxopentanoic acid
1-(5-Phenyl-1,2,4-thiadiazol-3-yl)-3-sulfanylideneurea
N-gamma-Glutamylcysteine
gamma-L-Glutamyl-L-cysteine (also known as gamma-glutamylcysteine) is a precursor of glutathione. It is formed by glutamate‚Äîcysteine ligase and used by glutathione synthetase to form glutathione . N-gamma-glutamylcysteine is a member of the class of compounds known as dipeptides. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. N-gamma-glutamylcysteine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). N-gamma-glutamylcysteine can be found in garden onion, which makes N-gamma-glutamylcysteine a potential biomarker for the consumption of this food product. γ-L-Glutamyl-L-cysteine (also known as γ-glutamylcysteine) is a precursor of glutathione. It is formed by glutamate—cysteine ligase and used by glutathione synthetase to form glutathione . N-gamma-glutamylcysteine is a member of the class of compounds known as dipeptides. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. N-gamma-glutamylcysteine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). N-gamma-glutamylcysteine can be found in garden onion, which makes N-gamma-glutamylcysteine a potential biomarker for the consumption of this food product. Gamma-glutamylcysteine (γ-Glutamylcysteine), a dipeptide containing cysteine and glutamic acid, is a precursor to glutathione (GSH). Gamma-glutamylcysteine is a cofactor for glutathione peroxidase (GPx) to increase GSH levels[1].
Aureoquinone
A naphthoquinone that is 1,4-naphthoquinone substituted by hydroxy groups at positions 2, 5, 7,and 8 and methyl groups at positions 3 and 6. It is isolated from surface cultures of Aureobasidium and acts as a protease inhibitor.
4-methyl-3-[(2-nitrobenzyl)thio]-4H-1,2,4-triazole
2-<3,4-dihydroxybut-1-inyl>-dithiophene|4-[2,2]bithiophenyl-5-yl-but-3-yne-1,2-diol|5-(3,4-dihydroxy-1-butynyl)-2,2-bithiophene|5-(3,4-dihydroxy-1-butynyl)2,2-bithiophene|5-(3,4-dihydroxybut-1-ynyl)-2,2-bithiophene|5-(3.4-dihydroxy-1-butynyl)-2,2-bithiophene|5-<3,4-dihydroxybut-1-inyl>bithienyl-(2,2)
1,4,5,8-tetrahydroxy-3-ethylnaphthalene-2,6-dione|3-Ethyl-1,4,5,8-Tetrahydroxy-2,6-naphthoquinone
2-Hydroxy-alpha-Methyl-5-(2-thienylethynyl)-2-thiophenemethanol
1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol
C10H12Cl2O3 (250.01634620000002)
2,5,6,7-tetrahydroxy-3-ethyl-1,4-naphthoquinone|3-Aethyl-2,5,6,7-tetrahydroxy-[1,4]naphthochinon|3-ethyl-2,5,6,7-tetrahydroxy-[1,4]naphthoquinone
5,7-Dihydroxy-6-(hydroxymethyl)-2-methoxy-1,4-naphthoquinone
4-Methyl-9H-furo[2,3:7,8]naphtho[2,1-b]pyran-9-one
6-Aethyl-2,3,7-trihydroxy-juglon|6-Ethyl-2,3,7-trihydroxy-juglon
5,6-dimethoxy-7,8-methylenedioxycoumarin|Isosabandin|Sabandin
6-ethyl-2,3,5,8-tetrahydroxy-1,4-naphthoquinone|ethylspinazarin
3,5,8-Trihydroxy-2-methoxy-6-methyl-naphtho-1,4-chinon|3,5,8-Trihydroxy-2-methoxy-6-methyl-[1,4]naphthochinon|3,5,8-trihydroxy-2-methoxy-6-methyl-[1,4]naphthoquinone|Nepenthone D|nepenthone-D
4,6-O-(1-carboxyethylidene)-D-galactose|4,6-O-(1-carboxyethylidene)galactose
9-(2-Hydroxyethoxy)-6H-1,3-dioxolo[4,5-g][1]benzopyran-6-one
HEPTENOPHOS
C9H12ClO4P (250.01617119999997)
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 3114
gamma-Glu-cys
Gamma-glutamylcysteine (γ-Glutamylcysteine), a dipeptide containing cysteine and glutamic acid, is a precursor to glutathione (GSH). Gamma-glutamylcysteine is a cofactor for glutathione peroxidase (GPx) to increase GSH levels[1].
Diphenylphosphate
CONFIDENCE standard compound; INTERNAL_ID 2301 INTERNAL_ID 2301; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 8815
Gamma-glutamylcysteine
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; RITKHVBHSGLULN_STSL_0116_5-Glutamylcysteine_8000fmol_180506_S2_LC02_MS02_219; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. Gamma-glutamylcysteine (γ-Glutamylcysteine), a dipeptide containing cysteine and glutamic acid, is a precursor to glutathione (GSH). Gamma-glutamylcysteine is a cofactor for glutathione peroxidase (GPx) to increase GSH levels[1].
diflunisal
N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BA - Salicylic acid and derivatives D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors 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 D004791 - Enzyme Inhibitors
2H-1-Benzopyran-6-acetic acid, 7-hydroxy-8-methoxy-2-oxo-
2-[(5-Methylsulfinyl)-4-penten-2-ynylidene]-1,6-dioxaspiro[4.4]non-3-ene
Dichloroisoeverninic acid
C9H8Cl2O4 (249.97996279999998)
D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens
Allyl 3-(allylsulfonyl)-1-propenyl disulfide
(E)-2-Propenyl [3-(2-propenylthio)-2-propenyl] sulfate
4-(bromomethyl)-1-methyl-3-phenylpyrazole
C11H11BrN2 (250.01055459999998)
4-(CHLOROMETHYL)-N-(5-METHYLISOXAZOL-3-YL)BENZAMIDE
5-(4-methylsulfanylphenyl)thiophene-2-carboxylic acid
4-Amino-6-bromo-2,8-dimethylquinoline
C11H11BrN2 (250.01055459999998)
2-Dichloromethyl-6-Methyl-imidazo[1,2-a]pyridine hydrochloride
[2-(3-METHYL-4-NITRO-PHENYL)-THIAZOL-4-YL]-METHANOL
Ozagrel sodium
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors
3-(2-Chloro-4-fluorophenyl)benzoic acid
C13H8ClFO2 (250.01968300000001)
2-(4-Chlorophenoxy)-6-fluorobenzaldehyde
C13H8ClFO2 (250.01968300000001)
1,3,5-Tris(chloromethyl)-2,4-dimethylbenzene
C11H13Cl3 (250.00827880000003)
4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)morpholine
C11H11ClN4O (250.06213459999998)
N-(3-amino-2,4-difluorophenyl)propane-1-sulfonamide
8-Bromo-1,2,3,4-tetrahydro-pyrazino[1,2-a]indole
C11H11BrN2 (250.01055459999998)
2-CHLORO-4-FLUORO-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
C13H8ClFO2 (250.01968300000001)
4-pyridin-3-yloxypyridine-2-carboximidamide,hydrochloride
C11H11ClN4O (250.06213459999998)
2-CHLOROMETHYL-9-THIA-1,4A-DIAZA-FLUOREN-4-ONE
C11H7ClN2OS (249.99676019999998)
[2-(4-chlorophenyl)sulfanylphenyl]methanol
C13H11ClOS (250.02191059999998)
Trimethylsilyl difluoro(fluorosulfonyl)acetate
C5H9F3O4SSi (249.99429099999998)
4-CHLORO-6-FLUORO-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
C13H8ClFO2 (250.01968300000001)
2-CHLORO-3-FLUORO-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
C13H8ClFO2 (250.01968300000001)
4-CHLORO-3-FLUORO-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
C13H8ClFO2 (250.01968300000001)
4-CHLORO-4-FLUORO-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
C13H8ClFO2 (250.01968300000001)
4-(Pyridin-2-yl)piperidin-4-ol dihydrochloride
C10H16Cl2N2O (250.06396259999997)
4-Chloro-4-fluoro-2-biphenylcarboxylic acid
C13H8ClFO2 (250.01968300000001)
2-Propenoic acid, 3-(2,1,3-benzothiadiazol-5-yl)-3-hydroxy-, ethyl ester
4-BROMO-3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE
C11H11BrN2 (250.01055459999998)
5-[(4-nitrophenyl)methylene]-1,3-thiazolane-2,4-dione
2-(Trifluoromethyl)-[1,1-Biphenyl]-3-Carboxaldehyde
1-(4-BROMOPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE
C11H11BrN2 (250.01055459999998)
1-(4-CHLORO-PHENYL)-4,5-DIHYDRO-1H-PYRAZOL-3-YLAMINE
C11H11ClN4O (250.06213459999998)
1-(8-Bromoquinolin-4-yl)-N-methylmethanamine
C11H11BrN2 (250.01055459999998)
4-(Piperidin-4-yloxy)pyridine dihydrochloride
C10H16Cl2N2O (250.06396259999997)
3-CHLORO-4-FLUORO-3-METHYLBENZHYDROL
C14H12ClFO (250.05606639999996)
4-(3,4-dichlorophenyl)benzaldehyde
C13H8Cl2O (249.99521779999998)
(4-((4,5-Dihydrothiazol-2-yl)carbamoyl)phenyl)boronic acid
3-(3-Methyl-4-oxo-thiazolidin-2-ylideneamino)-benzoic acid
1-BROMO-2-METHOXYMETHYLNAPHTHALENE
C12H11BrO (249.99932159999997)
3,5-DICHLORO-2,6-DIMETHOXYBENZOIC ACID
C9H8Cl2O4 (249.97996279999998)
sodium,(E)-but-2-ene-1,4-diol,hydrogen sulfite,2-methyloxirane
2-(bromomethyl)-6-methoxynaphthalene
C12H11BrO (249.99932159999997)
METHYL 1,2,3,4-TETRAHYDRO-7-NITRO-2-OXOQUINOLINE-3-CARBOXYLATE
5-CHLORO-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLICACIDETHYLESTER
Ethyl 3-(4-Chlorophenyl)-1H-Pyrazole-5-Carboxylate
4-(Methylamino)-1-(3-pyridyl)-1-butanone Dihydrochloride
C10H16Cl2N2O (250.06396259999997)
(3-((4,5-Dihydrothiazol-2-yl)carbamoyl)phenyl)boronic acid
3-[2-Oxo-3-(trifluoromethyl)pyridin-1(2H)-yl]propanethioamide
C9H9F3N2OS (250.03876599999998)
1-(4-Chlorophenyl)-4,4,4-trifluoro-1,3-butanedione
Polyanetholesulfonic Acid Sodium Salt
C10H11NaO4S (250.02757259999998)
2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]acetic acid
methyl 5-(4-chloro-3-methyl-phenyl)-1H-pyrazole-3-carboxylate
Ethyl 2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxylate hydroc hloride (1:1)
potassium,trifluoro-(6-hydroxynaphthalen-2-yl)boranuide
C10H7BF3KO (250.01790979999998)
1-Naphthalenesulfonicacid, 4-diazo-3,4-dihydro-3-oxo-
2-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]acetic acid
3-(3,5-dichlorophenyl)benzaldehyde
C13H8Cl2O (249.99521779999998)
2-((2-Nitro-4-(trifluoromethyl)phenyl)amino)ethanol
1-(2-BROMOPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE
C11H11BrN2 (250.01055459999998)
1-(3-BROMOPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE
C11H11BrN2 (250.01055459999998)
5-CHLORO-1-PHENYL-1H-PYRAZOLE-3-CARBOXYLICACIDETHYLESTER
6-(Trifluoromethoxy)quinoxaline, HCl
C9H6ClF3N2O (250.01207319999997)
5-Mercapto-1-[3-(3-methylureido) phenyl]-1,2,3,4-tetrazole
8-Bromo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
C11H11BrN2 (250.01055459999998)
2-chloro-4-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine
C13H12ClFN2 (250.06729939999997)
(2R,3S)-1-CARBOXY-4-TERT-BUTYL-2,3-DIHYDROXYCYCLOHEXA-4,6-DIENE, POTASSIUM SALT
4-Chloro-6-ethoxy-7-fluoro-3-quinolinecarbonitrile
Methyl 2,6-dichloro-3-hydroxy-4-methoxybenzoate
C9H8Cl2O4 (249.97996279999998)
4-Chloro-5-fluoro-2-hydroxybenzophenone
C13H8ClFO2 (250.01968300000001)
5-bromo-5-deoxy-2,3-o-isopropylidene-d-ribonolactone
C8H11BrO4 (249.98406659999998)
(1,3,5,7,9,11,13,15-OCTAKIS(DIMETHYLSILYLOXY)PENTACYCLO[9.5.1.1(3,9).1(5,15).1(7,13)]OCTASILOXANE
((1R,4S)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride
6-chloro-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
C11H11ClN4O (250.06213459999998)
2-(4-OXO-4,5,6,7-TETRAHYDRO-3H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-3-YL)ACETIC ACID
4-(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine
(CHLOROCARBONYLDIFLUOROMETHYL)PHOSPHONIC ACIDDIETHYL ESTER
4-(3,5-dichlorophenyl)benzaldehyde
C13H8Cl2O (249.99521779999998)
Ethane,1,1,1-[methylidynetris(oxy)]tris[2-chloro-
C7H13Cl3O3 (249.99302380000003)
2-Bromodecanoic acid
A bromo fatty acid that is decanoic acid carrying a single bromo substituent at position 2.
4-Oxo-3-phenyl-2-thioxoimidazolidine-1-acetic acid
8-fluoro-4h-thieno[3,2-c]chromene-2-carboxylic acid
[5-(4-Chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,4-oxadiazol-2-yl] methanol
4-(4-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine
Tetrakis(hydroxymethyl)phosphonium chloride urea polymer
C5H16ClN2O5P (250.04853260000002)
3,4-DICHLOROBIPHENYL-3-CARBALDEHYDE
C13H8Cl2O (249.99521779999998)
1-(4-METHOXYPHENYL)-5-METHYL-1H-PYRAZOLE-4-CARBONYL CHLORIDE
3-[4-(TRIFLUOROMETHOXY)PHENYL]PROP-2-ENOYL CHLORIDE
ETHYL (S)-2-(TRIFLUOROMETHYLSULFONYLOXY)PROPIONATE
5-[(3-NITROPHENYL)METHYLENE]-1,3-THIAZOLANE-2,4-DIONE
(3-ETHOXY-5-(TRIFLUOROMETHOXY)PHENYL)BORONIC ACID
C9H10BF3O4 (250.06242060000002)
dichlorozinc,N,N,N,N-tetramethylethane-1,2-diamine
5-(4-CHLOROPHENOXY)-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBALDEHYDE
(2,5-Dichlorophenyl)(phenyl)methanone
C13H8Cl2O (249.99521779999998)
2-([5-(TRIFLUOROMETHYL)-2-PYRIDYL]SULFONYL)ACETONITRILE
1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)propane
4-(2H-tetrazol-5-yl)tetraaz-3-ene-2-carboximidamide hydrobromide
6-Bromo-3-propylaminopyridine,HCl
C8H12BrClN2 (249.98723219999997)
2H-Isoindole-2-aceticacid, 1,3-dihydro-5-nitro-1,3-dioxo-
TERT-BUTYL (4-(DIFLUOROMETHYL)THIAZOL-2-YL)CARBAMATE
2-Methoxymethoxy-5-(trifluoromethyl)phenylboronic acid
C9H10BF3O4 (250.06242060000002)
2-(Trimethylsilyl)benzo[b]thiophen-7-ylboronic acid
C11H15BO2SSi (250.06550400000003)
5-Bromo-2-(2,5-dimethyl-1H-pyrrol-1-yl)pyridine
C11H11BrN2 (250.01055459999998)
1-(2-Chlorophenyl)piperazine Monohydrochloride Monohydrate
C10H16Cl2N2O (250.06396259999997)
Pyridine, 3-chloro-2-(1-pyrrolidinyl)-5-(trifluoromethyl)-
BICYCLO[2.2.1]HEPTANE-1-METHANESULFONYL CHLORIDE, 7,7-DIMETHYL-2-OXO-
4(1H)-Pyridazinone, 1-(3-chlorophenyl)-3-methoxy-6-methyl-
5-[amino(methyl)amino]-4-chloro-2-phenylpyridazin-3-one
C11H11ClN4O (250.06213459999998)
1,2-BIS(METHYLSULFONYL)-1-(2-CHLOROETHYL)HYDRAZINE
C4H11ClN2O4S2 (249.98487559999998)
3-(2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)ACRYLIC ACID
2-(4-Piperidyloxy)pyridine Dihydrochloride
C10H16Cl2N2O (250.06396259999997)
1-METHYL-3-(TRIFLUOROMETHYL)-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID
4-THIOMORPHOLINEETHYLAMINE 1,1-DIOXIDE DIHYDROCHLORIDE
2,2,3,3,3-pentafluoropropyl-1,1,2,2-tetrafluoroethyl ether
3-METHYL-4-OXO-4,5,6,7-TETRAHYDRO-BENZOFURAN-2-CARBOXYLIC ACID
3-(5-Amino-1-pentanoyl)pyridine dihydrochloride
C10H16Cl2N2O (250.06396259999997)
6-chloro-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
C11H11ClN4O (250.06213459999998)
1H-Indene-1,3(2H)-dione,2-[(4-hydroxyphenyl)methylene]-
7-Bromo-1,2,3,4-tetrahydrocyclopenta[b]indol-2-amine
C11H11BrN2 (250.01055459999998)
Spirobrassinin
(s)-spirobrassinin is a member of the class of compounds known as indolines. Indolines are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole (s)-spirobrassinin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (s)-spirobrassinin can be found in brassicas, which makes (s)-spirobrassinin a potential biomarker for the consumption of this food product.
SDZ EAA 494
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists
Midafotel
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
2-[(3-Fluorophenyl)methylthio]pyrimidine-4,6-diamine
7-Bromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
C11H11BrN2 (250.01055459999998)
2-Cyanoquinolin-8-YL dihydrogen phosphate
C10H7N2O4P (250.01434319999998)
(4AR,6R,7S,8R,8AS)-Hexahydro-6,7,8-trihydroxy-2-methylpyrano[3,2-D][1,3]dioxine-2-carboxylic acid
4-Amino-5-[(1-carboxy-2-sulfanylethyl)amino]-5-oxopentanoic acid
(2E,5E)-6-(3,4-dihydroxyphenyl)-2-hydroxy-4-oxohexa-2,5-dienoic acid
(4aR,6R,7S,8R,8aS)-6,7,8-trihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid
(2Z,4E)-6-(2,3-dihydroxyphenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid
(2S)-2-Amino-5-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-5-oxopentanoic acid
(4S)-4-Amino-5-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-5-oxopentanoic acid
7-Chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one
C11H7ClN2OS (249.99676019999998)
5-[(4-Hydroxy-3-methoxyphenyl)methylene]-2-imino-1,3-thiazolidin-4-one
3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]propanoic acid ethyl ester
C7H10N2O2S3 (249.99044000000004)
N-(5-chloro-2-pyridinyl)-2-ethyl-3-pyrazolecarboxamide
C11H11ClN4O (250.06213459999998)
N-[(3-methyl-2-thienyl)methylene]-2-thiophenecarbohydrazide
5-[(4-chlorophenyl)methylamino]-6-methyl-2H-1,2,4-triazin-3-one
C11H11ClN4O (250.06213459999998)
2-[(4-Methyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]acetic acid ethyl ester
C7H10N2O2S3 (249.99044000000004)
N-(4-fluorophenyl)-6-methyl-2,5-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine
[4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-(2-oxiranyl)methanone
N-[(E)-1-thiophen-2-ylethylideneamino]thiophene-2-carboxamide
(Z)-3-(5-butylthiophen-2-yl)-2-cyanoprop-2-enethioamide
N-acetyl-S-(3-amino-2-hydroxy-3-oxopropyl)-D-cysteine
sulfadiazine
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EC - Intermediate-acting sulfonamides D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BA - Sulfonamides D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents A sulfonamide consisting of pyrimidine with a 4-aminobenzenesulfonamido group at the 2-position. C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4(5H)-one
2-Hydroxy-6-(2-hydroxyphenoxy)-6-oxo-cis,cis-hexa-2,4-dienoic acid
Bisphenol S
A sulfone that is diphenyl sulfone in which both of the para hydrogens have been replaced by hydroxy groups.
Tris(2-carboxyethyl)phosphine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
2-amino-5-[(1-carboxy-2-sulfanylethyl)amino]-5-oxopentanoic acid
2-Propenyl 3-(2-propenylsulfonyl)-1-propenyl disulfide
L-gamma-Glutamyl-L-cysteine
A molecular entity formed when L-cysteine amino group binds to the gamma-carbonyl of L-glutamic acid.
Antimalarial agent 14
Antimalarial agent 14 (Compound N3) is a potent inhibitor of mitochondrial electron transport. Antimalarial agent 14 can serve as an anti-malarial agent[1].
9-(2-hydroxyethoxy)-2h-[1,3]dioxolo[4,5-g]chromen-6-one
8-hydroxy-4-(2-hydroxyacetyl)-6-methoxyisochromen-1-one
(2s,4ar,6r,7r,8r,8ar)-6,7,8-trihydroxy-2-methyl-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid
4,5,8-trihydroxy-6-(1-hydroxyethyl)naphthalene-1,2-dione
(2z,5r)-2-[(4e)-5-[(s)-methanesulfinyl]pent-4-en-2-yn-1-ylidene]-1,6-dioxaspiro[4.4]non-3-ene
2-[(s)-methanesulfinyl]-4h,9h-[1,3]thiazino[6,5-b]indole
2-(5-methylsulfinyl-2-pentyn-4-enylidene)-1,6-dioxaspiro[4.4]non-3-ene
{"Ingredient_id": "HBIN004690","Ingredient_name": "2-(5-methylsulfinyl-2-pentyn-4-enylidene)-1,6-dioxaspiro[4.4]non-3-ene","Alias": "NA","Ingredient_formula": "C13H14O3S","Ingredient_Smile": "NA","Ingredient_weight": "250.31","OB_score": "NA","CAS_id": "124442-14-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9051","PubChem_id": "NA","DrugBank_id": "NA"}
(3r)-5'-(methylsulfanyl)-3'h-spiro[indole-3,2'-[1,4]thiazol]-2-ol
7-hydroxy-5,6-dimethoxy-2-oxochromene-8-carbaldehyde
6,7,8-trihydroxy-2-methyl-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid
(2e,5r)-2-[(4e)-5-[(s)-methanesulfinyl]pent-4-en-2-yn-1-ylidene]-1,6-dioxaspiro[4.4]non-3-ene
(4s,6s,9s)-5-chloro-9-methoxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,6-diol
C10H15ClO5 (250.06079699999998)
(3r)-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene
(1s,4s,5s,6s,7r,9s,11s)-5-chloro-9-methoxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,6-diol
C10H15ClO5 (250.06079699999998)
2-chloro-1-{5-[(5e)-hept-5-en-1,3-diyn-1-yl]thiophen-2-yl}ethanol
C13H11ClOS (250.02191059999998)
(2s)-2-amino-4-{[(1r)-1-carboxy-2-sulfanylethyl]-c-hydroxycarbonimidoyl}butanoic acid
2-(5-methanesulfinylpent-4-en-2-yn-1-ylidene)-1,6-dioxaspiro[4.4]non-3-ene
1-[(3e)-3-(chloromethylidene)-6-hydroxy-2h-1-benzoxepin-7-yl]ethanone
methyl 2-[4-(2-methoxy-2-oxoacetyl)phenyl]-2-oxoacetate
7,8-dichloro-9-methylpyrido[3,4-b]indole
C12H8Cl2N2 (250.00645079999998)
2-chloro-1-[5-(hept-5-en-1,3-diyn-1-yl)thiophen-2-yl]ethanol
C13H11ClOS (250.02191059999998)
(2s)-4-ethoxy-2-hydroxy-4-oxobutyl (2e)-4-chlorobut-2-enoate
C10H15ClO5 (250.06079699999998)
6-hydroxy-2-[(1e)-2-methanesulfinylethenyl]chromen-4-one
5'-(methylsulfanyl)-3'h-spiro[indole-3,2'-[1,4]thiazol]-2-ol
12-methyl-6,14-dioxatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-1(10),2(7),3,8,11,13(17),15-heptaen-5-one
5-chloro-9-methoxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,6-diol
C10H15ClO5 (250.06079699999998)
2-hydroxy-6-(3-hydroxypropanoyl)-3-methylpteridin-4-one
(3s)-5'-(methylsulfanyl)-3'h-spiro[indole-3,2'-[1,4]thiazol]-2-ol
(1s,4s,5r,6s,7r,9r,11s)-5-chloro-9-methoxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,6-diol
C10H15ClO5 (250.06079699999998)
methyl 8-hydroxy-6-methoxy-1-oxoisochromene-3-carboxylate
methyl 7-hydroxy-8-methoxy-2-oxochromene-6-carboxylate
(4s,6s,9r)-5-chloro-9-methoxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,6-diol
C10H15ClO5 (250.06079699999998)
8-hydroxy-6-methoxy-3-methyl-1-oxoisochromene-4-carboxylic acid
(1r)-2-chloro-1-{5-[(5e)-hept-5-en-1,3-diyn-1-yl]thiophen-2-yl}ethanol
C13H11ClOS (250.02191059999998)
(2r,3s)-1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione
4,5,7,8-tetrahydroxy-3,6-dimethylnaphthalene-1,2-dione
prop-2-en-1-yl 3-(prop-2-en-1-ylsulfanyl)prop-2-en-1-yl sulfate
(1s,4s,5r,6s,7r,9s,11s)-5-chloro-9-methoxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,6-diol
C10H15ClO5 (250.06079699999998)
3,5,8-trihydroxy-2-methoxy-6-methylnaphthalene-1,4-dione
(1s,2r)-1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol
C10H12Cl2O3 (250.01634620000002)