Exact Mass: 249.0857154
Exact Mass Matches: 249.0857154
Found 500 metabolites which its exact mass value is equals to given mass value 249.0857154,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
S-Acetyldihydrolipoamide
S-Acetyldihydrolipoamide is a thio-acetylated form of dihydrolipoamide. The molecule is commonly conjugated to lysine residues. The structure shown is the free form of the molecule. Pyruvate dehydrogenase complex. The reaction is 2-(alpha-hydroxyethyl)-TPP + lipoamide => S-acetyldihydrolipoamide + TPP [Homo sapiens], occuring in mitochondrial matrix. (reactome.org). S-Acetyldihydrolipoamide is an intermediate in alanine, aspartate and pyruvate metabolism and glycolysis/gluconeogenesis (KEGG:C01136). It is converted from 2-hydroxyethyl-THPP and lipoamide via the enzyme pyruvate dehydrogenase (EC:1.2.4.1). It is then converted to acetyl-CoA via the enzyme pyruvate dehydrogenase E2 component (dihydrolipoamide acetyltransferase) (EC:2.3.1.12). S-Acetyldihydrolipoamide is a thio-acetylated form of dihydrolipoamide. The molecule is commonly conjugated to lysine residues. The structure shown is the free form of the molecule.
Oxibendazole
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
Sulfapyridine
Sulfapyridine is only found in individuals that have used or taken this drug. It is an antibacterial, potentially toxic, used to treat certain skin diseases. [PubChem] Sulfapyridine is a competitive inhibitor of the bacterial enzyme dihydropteroate synthetase. The inhibited reaction is necessary in these organisms for the synthesis of folic acid by means of processing the substrate para-aminobenzoic acid (PABA). Dihydropteroate synthetase activity is vital in the synthesis of folate, and folate is required for cells to make nucleic acids, such as DNA or RNA. So if DNA molecules cannot be built, the cell cannot divide. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EB - Short-acting sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides COVID info from PDB, Protein Data Bank D003879 - Dermatologic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Lansiumamide A
Lansiumamide A is found in fruits. Lansiumamide A is isolated from seeds of Clausena lansium (wampee). Isolated from seeds of Clausena lansium (wampee). Lansiumamide A is found in fruits.
Lysylcysteine
Lysylcysteine is a dipeptide composed of lysine and cysteine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Cysteinyl-Glutamine
C8H15N3O4S (249.07832299999998)
Cysteinyl-Glutamine is a dipeptide composed of cysteine and glutamine. 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.
Cysteinyl-Lysine
Cysteinyl-Lysine is a dipeptide composed of cysteine and lysine. 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.
Glutaminylcysteine
C8H15N3O4S (249.07832299999998)
Glutaminylcysteine is a dipeptide composed of glutamine and cysteine. 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.
S-Acetyldihydrolipoamide-E
The acetyl thioester of the reduced lipoyllysine residue in dihydrolipoyllysine-residue acetyltransferase (EC2.3.1.12). S-Acetyldihydrolipoamide-E is a reactant or product of enzyme EC 1.2.4.1. S-Acetyldihydrolipoamide-E is a reactant or product of enzyme EC 2.3.1.12. (PubChem sid=47205563) [HMDB] The acetyl thioester of the reduced lipoyllysine residue in dihydrolipoyllysine-residue acetyltransferase (EC2.3.1.12). S-Acetyldihydrolipoamide-E is a reactant or product of enzyme EC 1.2.4.1. S-Acetyldihydrolipoamide-E is a reactant or product of enzyme EC 2.3.1.12. (PubChem sid=47205563).
Cysteinyl-Gamma-glutamate
C8H15N3O4S (249.07832299999998)
Cysteinyl-Gamma-glutamate is a dipeptide composed of cysteine and gamma-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.
Melatonin radical
This compound belongs to the family of Indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
(1Z)-1-(3-Ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one
1-(2-Pyridylazo)-2-naphthol
C15H11N3O (249.09020759999999)
2',3'-Didehydro-2',3'-dideoxyguanosine
Benzo(f)quinolin-3(2H)-one, 8-chloro-1,4,4a,5,6,10b-hexahydro-4-methyl-, trans-
C14H16ClNO (249.09203559999997)
Ala-Cys-Gly
C8H15N3O4S (249.07832299999998)
Cinchophen
M - Musculo-skeletal system > M04 - Antigout preparations > M04A - Antigout preparations > M04AC - Preparations with no effect on uric acid metabolism C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Oxibendazole
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
2-[(2S)-2-Amino-3-carboxypropanoyl]oxybutanedioic acid
1-(5-Fluoropentyl)-1H-indole-3-carboxylic acid
C14H16FNO2 (249.11650079999998)
N-[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-YL]-N-HYDROXYIMIDOFORMAMIDE
C10H11N5OS (249.06842759999998)
Me glycoside,N-Ac-alpha-D-Pyranose-4-Amino-4-deoxyglucuronic acid
6,7-dimethoxy-2-methylisoquinoline-1,3,4(2H)-trione
Di-Me ether,N-formyl-3-Amino-6,7-dihydroxy-2H-1-benzopyran-2-one
(+/-)-2-hydroxy-1-methyl-trans-zeatin|2-hydroxy-1-methylzeatin|2-hydroy-1-methylzeatin
C11H15N5O2 (249.12256900000003)
N-[2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
2-Acetylamino-3,4-dihydro-4-oxopteridine-6-carboxylic acid
8-Hydroxy-4-methoxythiochinaldinsaeure-S-methylester
sulfapyridine
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EB - Short-acting sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides COVID info from PDB, Protein Data Bank D003879 - Dermatologic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 2344 CONFIDENCE standard compound; INTERNAL_ID 4088 CONFIDENCE standard compound; EAWAG_UCHEM_ID 234 CONFIDENCE standard compound; INTERNAL_ID 1020
(2E,4E)-N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide
C14H19NOS (249.11872839999998)
(2E,4E)-N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide
C14H19NOS (249.11872839999998)
Triallyl cyanurate
CONFIDENCE standard compound; INTERNAL_ID 407; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9255; ORIGINAL_PRECURSOR_SCAN_NO 9253 CONFIDENCE standard compound; INTERNAL_ID 407; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9282; ORIGINAL_PRECURSOR_SCAN_NO 9280 CONFIDENCE standard compound; INTERNAL_ID 407; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9293; ORIGINAL_PRECURSOR_SCAN_NO 9291 CONFIDENCE standard compound; INTERNAL_ID 407; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9319; ORIGINAL_PRECURSOR_SCAN_NO 9316 CONFIDENCE standard compound; INTERNAL_ID 407; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9326; ORIGINAL_PRECURSOR_SCAN_NO 9324
Cinchophen
M - Musculo-skeletal system > M04 - Antigout preparations > M04A - Antigout preparations > M04AC - Preparations with no effect on uric acid metabolism C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4523; ORIGINAL_PRECURSOR_SCAN_NO 4519 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4546; ORIGINAL_PRECURSOR_SCAN_NO 4543 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4500; ORIGINAL_PRECURSOR_SCAN_NO 4498 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4520; ORIGINAL_PRECURSOR_SCAN_NO 4516 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4555; ORIGINAL_PRECURSOR_SCAN_NO 4552 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4546; ORIGINAL_PRECURSOR_SCAN_NO 4545 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8905; ORIGINAL_PRECURSOR_SCAN_NO 8900 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8921; ORIGINAL_PRECURSOR_SCAN_NO 8919 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8942; ORIGINAL_PRECURSOR_SCAN_NO 8939 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8878; ORIGINAL_PRECURSOR_SCAN_NO 8876 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8996; ORIGINAL_PRECURSOR_SCAN_NO 8993 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8968; ORIGINAL_PRECURSOR_SCAN_NO 8966
S-Acetyldihydrolipoamide-E
Cys-gglu
C8H15N3O4S (249.07832299999998)
GGlu-Cys
C8H15N3O4S (249.07832299999998)
4-(3-Chloro-benzyl)-1H-pyrrole-3-carboxylic acid Methyl ester
(3-Amino-benzo[d]isoxazol-4-yl)-carbamic acid tert-butyl ester
2,5-Dimethoxy-4-(trifluoromethyl)phenethylamine
C11H14F3NO2 (249.09765800000002)
3-amino-5-(4-methoxyphenyl)thiophene-2-carboxylic acid
methyl 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
(S)-2-(Benzyloxycarbonylamino)-3-butenoic acid methyl ester
Benzamide, N-[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]-2-methyl- (9CI)
(2S)-2-[(1,1-dioxothiolan-3-yl)amino]-4-methylpentanoic acid
C10H19NO4S (249.10347339999998)
5-(3,4-Dimethoxy-phenyl)-isoxazole-3-carboxylic acid
5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-amine
C13H16ClN3 (249.10326859999998)
tert-Butyl (5-aminobenzo[d]isoxazol-3-yl)carbamate
6-CHLORO-2-METHYLQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
2-chloro-3-morpholin-4-yl-quinoxaline
C12H12ClN3O (249.06688519999997)
l-10-camphorsulfonic acid ammonium salt
C10H19NO4S (249.10347339999998)
(R)-4-benzyl-5-oxomorpholine-3-carboxylic acid methyl ester
4-[4-(TERT-BUTYL)PHENYL]-5-MERCAPTO-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
C12H15N3OS (249.09357799999998)
1-CHLORO-3-(1,3,3-TRIMETHYL-1,3-DIHYDRO-INDOL-2-YLIDENE)-PROPAN-2-ONE
C14H16ClNO (249.09203559999997)
3-METHOXY-4-PYRROLIDIN-1-YL-BENZALDEHYDE
C12H15N3OS (249.09357799999998)
5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-amine
C13H16ClN3 (249.10326859999998)
Benzoic acid,4-[(1,3-dioxobutyl)amino]-, ethyl ester
Ethyl 3,7-dimethyl-4H-benzo[1,4]thiazine-2-carboxylate
6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
2-(PIPERAZIN-1-YL)QUINOLINE HYDROCHLORIDE
C13H16ClN3 (249.10326859999998)
4-phenoxypyridine-2-carboximidamide,hydrochloride
C12H12ClN3O (249.06688519999997)
2-METHYL-6-NITRO-IMIDAZO[1,2-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
Bay H 2049
C15H11N3O (249.09020759999999)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor
Phenol,2-[[(phenylmethyl)amino]methyl]-, hydrochloride (1:1)
C14H16ClNO (249.09203559999997)
methyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
4-(chloromethyl)-1-(furan-2-ylmethyl)piperidine,hydrochloride
C11H17Cl2NO (249.06871320000002)
(2S,3R)-2-Methyl-5-oxo-4-(phenylmethyl)-3-Morpholinecarboxylic acid
(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanol
C12H15N3OS (249.09357799999998)
{[4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO}ACETIC ACID
1-PHENYL-3-PYRIDIN-3-YL-1H-PYRAZOLE-4-CARBALDEHYDE
C15H11N3O (249.09020759999999)
1-(PIPERAZIN-1-YL)ISOQUINOLINE HYDROCHLORIDE
C13H16ClN3 (249.10326859999998)
1H-INDAZOLE, 6-CHLORO-3-(1-METHYL-4-PIPERIDINYL)-
C13H16ClN3 (249.10326859999998)
(4-methoxyphenyl)(phenyl)methanamine hydrochloride
C14H16ClNO (249.09203559999997)
2-(3-hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
(2S)-4-(1,3-Dioxoisoindolin-2-yl)-2-hydroxybutanoic acid
ETHYL5-AMINO-1-(2-FLUOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLATE
3-AMINO-3-(4-TRIFLUOROMETHOXY-PHENYL)-PROPIONIC ACID
2-Oxazolidinone, 5-(2,2-diMethyl-4H-1,3-benzodioxin-6-yl)-, (5R)-
N-(tert-Butoxycarbonyl)-L-methionine-1-13C
C10H19NO4S (249.10347339999998)
ETHYL 5-ISOPROPYL-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXYLATE
ethyl 5-amino-1-(4-fluorophenyl)pyrazole-4-carboxylate
(S)-2-METHYLPIPERIDINE (2R,3R)-2,3-DIHYDROXYSUCCINATE
3-(4-Fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid ethyl ester
2-CHLORO-N-(3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)ACETAMIDE
C12H12ClN3O (249.06688519999997)
(4-(((TETRAHYDROFURAN-2-YL)METHYL)CARBAMOYL)PHENYL)BORONIC ACID
4-(Benzyloxy)-3-methylaniline hydrochloride
C14H16ClNO (249.09203559999997)
6-Nitro-1H-benzimidazole-2-acetic acid ethyl ester
Pyridinium,3-carboxy-1-(phenylmethyl)-, chloride (1:1)
1-(tetrahydro-2H-pyran-4-yl)-4-piperidinecarboxylic acid(SALTDATA: HCl)
1-(tetrahydro-2H-pyran-4-yl)-3-piperidinecarboxylic acid(SALTDATA: HCl)
9,10-DIHYDRO-4H-BENZO(4,5)CYCLOHEPTA(1,2-B)THIOPHEN-4-ONE
6-(1-chloroethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine
PIPERIDINE-3-CARBOXYLIC ACID (4-NITRO-PHENYL)-AMIDE
PIPERIDINE-4-CARBOXYLIC ACID (4-NITRO-PHENYL)-AMIDE
PIPERIDINE-4-CARBOXYLIC ACID (2-NITRO-PHENYL)-AMIDE
5-CHLORO-2-CYANOPHENYLBORONIC ACID NEOPENTYL GLYCOL ESTER
C12H13BClNO2 (249.07278180000003)
7-CHLORO-2-METHYL-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
4-(4-AMINOBUTYL)AMINO-7-CHLOROQUINOLINE
C13H16ClN3 (249.10326859999998)
1,3,5-Triazin-2(1H)-one, 4,6-diphenyl-
C15H11N3O (249.09020759999999)
(S)-2-(((Benzyloxy)carbonyl)amino)pent-4-enoic acid
2-Isopropoxy-5-(trifluoromethyl)pyridine-3-boronic acid
C9H11BF3NO3 (249.07840420000002)
[4-(4-methylphenoxy)phenyl]methanamine,hydrochloride
C14H16ClNO (249.09203559999997)
ETHYL5-AMINO-1-(3-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
1H-Carbazole-2-carboxylic acid, 7-chloro-2,3,4,9-tetrahydro-
2-METHYL-2-(5-(TRIFLUOROMETHYL)PYRIDIN-2-YLOXY)PROPANOIC ACID
(4-CHLORO-PHENYL)-(4-TRIFLUOROMETHOXY-PHENYL)-METHANONE
C14H13ClFN (249.07205000000002)
3-DIMETHOXYMETHYL-5-TRIMETHYLSILANYLETHYNYL-PYRIDINE
C13H19NO2Si (249.11849940000002)
tert-Butyl 1-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-3(2H)-carboxylate
4,4,5,5-Tetramethyl-2-(4-nitrophenyl)-1,3,2-dioxaborolane
4-(2-chloroquinazolin-4-yl)morpholine
C12H12ClN3O (249.06688519999997)
4-Chloro-2-(4-Morpholinyl)quinazoline
C12H12ClN3O (249.06688519999997)
6-(1-Piperazinyl)isoquinoline hydrochloride (1:1)
C13H16ClN3 (249.10326859999998)
ethyl 2-cyano-2-(4-methyl-3-nitropyridin-2-yl)acetate
1H-INDAZOLE, 5-CHLORO-1-METHYL-3-(4-PIPERIDINYL)-
C13H16ClN3 (249.10326859999998)
PIPERIDINE-3-CARBOXYLIC ACID (2-NITRO-PHENYL)-AMIDE
3-Quinolinecarboxylic acid, 2-(chloromethyl)-4-methyl-, methyl ester
ETHYL5-AMINO-1-(2-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
2-AMINO-BENZOTHIAZOLE-6-CARBOXYLIC ACID SEC-BUTYLAMIDE
C12H15N3OS (249.09357799999998)
4-ethyl-3-[(2-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
C12H15N3OS (249.09357799999998)
5-(1-piperazinyl)-isoquinoline HCl
C13H16ClN3 (249.10326859999998)
4-ETHYL-5-[(4-METHYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
C12H15N3OS (249.09357799999998)
1-(2-Methoxybenzyl)-5-oxopyrrolidine-3-carboxylic acid
2-(2-METHOXY-ETHYL)-1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOLE-5-CARBOXYLIC ACID
4-ethyl-3-(1-phenoxyethyl)-1H-1,2,4-triazole-5-thione
C12H15N3OS (249.09357799999998)
(R)-2-(((Benzyloxy)carbonyl)amino)pent-4-enoic acid
(2S,4R)-METHYL 1-BENZOYL-4-HYDROXYPYRROLIDINE-2-CARBOXYLATE
6-chloro-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
C12H12ClN3O (249.06688519999997)
2-(4-Phenoxyphenyl)ethanamine hydrochloride (1:1)
C14H16ClNO (249.09203559999997)
Benzoxiquine
C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
2-METHYL-OXAZOLE-4-CARBOXYLICACIDMETHYLESTER
C14H16ClNO (249.09203559999997)
4-(2-TRIFLUOROMETHYL-PHENOXY)-PIPERIDINEHYDROCHLORIDE
C14H16ClNO (249.09203559999997)
4-(2-AMINOETHYL)BENZOICACIDHYDROCHLORIDE
C14H16ClNO (249.09203559999997)
2-Chloro-N4-(2-methypropyl)-3,4-quinolinediamine
C13H16ClN3 (249.10326859999998)
6-(chloromethyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
3-AMINO-3-(2-TRIFLUOROMETHOXY-PHENYL)-PROPIONIC ACID
4,4,5,5-Tetramethyl-2-(3-nitrophenyl)-1,3,2-dioxaborolane
2-[bis(2-hydroxyethyl)amino]ethanol,oxolane-2,5-dione
8-(1-Piperazinyl)isoquinoline hydrochloride (1:1)
C13H16ClN3 (249.10326859999998)
2-Chloro-6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
C12H13BClNO2 (249.07278180000003)
3-(4-METHYLPHENOXY)BENZYLAMINE HYDROCHLORIDE
C14H16ClNO (249.09203559999997)
1-PHENYL-3-PYRIDIN-4-YL-1H-PYRAZOLE-4-CARBALDEHYDE
C15H11N3O (249.09020759999999)
1,2,4-Triazin-3(2H)-one,5,6-diphenyl-
C15H11N3O (249.09020759999999)
4-chloro-3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
7-(BENZYLOXY)-1H-INDAZOLE-3-CARBONITRILE
C15H11N3O (249.09020759999999)
(S)-4,9-DIHYDRO-1-METHYL-3H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLICACID
methyl 4-chloro-6,8-dimethyl-quinoline-2-carboxylate
N-tert-Butoxycarbonyl-3-mercapto-L-valine
C10H19NO4S (249.10347339999998)
1-(3-HYDROXYPHENYL)-1-METHOXY-1-(2-THIAZOLYL)-PROPANE
1-(3-fluoro-5-trifluoromethylpyridin-2-yl)piperazine
1-(6-(quinoxalin-2-yl)pyridin-2-yl)ethanone
C15H11N3O (249.09020759999999)
1-PYRIDIN-2-YL-[1,4]DIAZEPANE DIHYDROCHLORIDE
C10H17Cl2N3 (249.07994620000002)
6-(benzo[d][1,3]dioxol-5-ylmethyl)-2-thia-6-azaspiro[3.3]heptane
5-methyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
5-NITROSPIRO[BENZIMIDAZOLE-2,1-CYCLOPENTANE] 1,3-DIOXIDE
4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-5-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
(2S)-2-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]PYRROLIDINE
(R)-Benzyloxycarbonylamino-cyclopropyl-acetic acid
(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-((S)-3-hydroxy-pyrrolidin-1-yl)-Methanone
(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-((R)-3-hydroxy-pyrrolidin-1-yl)-Methanone
N-(4-Chlorobenzyl)-2-fluorobenzylamine
C14H13ClFN (249.07205000000002)
2-Chloro-N-(4-fluorobenzyl)-4-Methylaniline
C14H13ClFN (249.07205000000002)
2-Chloro-N-(3-fluorobenzyl)-4-Methylaniline
C14H13ClFN (249.07205000000002)
2-Propenoic acid, 4-cyano[1,1-biphenyl]-4-yl ester
Clorprenaline hydrochloride
C11H17Cl2NO (249.06871320000002)
Clorprenaline hydrochloride is a β2-adrenergic receptor agonist that is implicated in bronchial expansion. Clorprenaline has the potential for asthma research[1][2].
1,3-DIHYDRO-α-HYDROXY-1,3-DIOXO-2H-ISOINDOLE-2-BUTANOIC ACID
1H-Imidazole-4-carboxylicacid,5-[[(4-fluorophenyl)amino]carbonyl]-(9CI)
C11H8FN3O3 (249.05496699999998)
METHYL 7-ALLYL-6-HYDROXY-5-OXO-1,2,3,5-TETRAHYDROINDOLIZINE-8-CARBOXYATE
N-Acetyl-S-(3-carboxy-1-methylpropyl)-L-cysteine
C9H15NO5S (249.06708999999998)
1-[(4-METHYLPHENYL)METHYL]-1H-INDOLE-3-CARBALDEHYDE
5-(1-METHYL-PYRROLIDIN-2-YL)-PYRIDIN-2-YLAMINEDIHYDROCHLORIDE
C10H17Cl2N3 (249.07994620000002)
1-(4-METHOXY-BENZYL)-5-OXO-PYRROLIDINE-3-CARBOXYLIC ACID
2-Propoxy-5-(trifluoromethyl)pyridine-3-boronic acid
C9H11BF3NO3 (249.07840420000002)
1-(3-PHENYL-2-PROPENOYL)-1H-BENZOTRIAZO&
C15H11N3O (249.09020759999999)
3-(2-NITROPHENYL)-2-PROPENOIC ACID1,1-DIMETHYLETHYL ESTER
2-bromo-N-tert-butyl-3,3-dimethylbutanamide
C10H20BrNO (249.07281700000001)
[2-(3-chloro-phenyl)-ethyl]-(4-fluoro-phenyl)-amine
C14H13ClFN (249.07205000000002)
5-(2,4-DIMETHYOXYPHENYL)-1,3-OXAZOLE-4-CARBOXYLIC ACID
Methyl 3-(aminomethyl)-4-(trifluoromethoxy)benzoate
1,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-4-[4-(FLUORO)PHENYL]-3-PYRIDINECARBOXYLIC ACID
N1-(1-METHYL-3-PHENYL-1H-PYRAZOL-5-YL)-2-CHLOROACETAMIDE
C12H12ClN3O (249.06688519999997)
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethylsulfamide
C6H11N5O4S (249.05317259999998)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C471 - Enzyme Inhibitor > C29577 - Carbonic Anhydrase Inhibitor
bexlosteride
C14H16ClNO (249.09203559999997)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058891 - 5-alpha Reductase Inhibitors C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen C471 - Enzyme Inhibitor > C2319 - 5 Alpha-Reductase Inhibitor C1892 - Chemopreventive Agent
6-(chloromethyl)-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
7-Amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]ethanamine
C12H15N3OS (249.09357799999998)
N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide
C12H15N3OS (249.09357799999998)
(E)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)acrylamide
3-(Dimethylamino)-5-(trifluoromethyl)pyridine-2-carbothioamide
C9H10F3N3S (249.05474959999998)
(2E,4E)-N-Isobutyl-6-(2-thienyl)hexa-2,4-dienamide
C14H19NOS (249.11872839999998)
L-gamma-glutamyl-L-cysteinate(1-)
C8H13N2O5S- (249.05451480000002)
Conjugate base of L-gamma-glutamyl-L-cysteine arising from deprotonation of both carboxy groups and protonation of the primary amino group; major species at pH 7.3. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(2R)-2-(Acetylamino)-3-(1,1-dimethyl-3-hydroxypropylthio)propionic acid
C10H19NO4S (249.10347339999998)
5-(4-Chlorophenyl)-6-ethylpyrimidin-3-ium-2,4-diamine
(2S,3S,4S,5R)-5-(hydroxymethyl)-2-(morpholin-4-ylmethyl)oxolane-2,3,4-triol
[(E)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enoyl]azanium
[(Z)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enoyl]azanium
(1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one
2-amino-9-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-1H-purin-6-one
N-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-ynylmethanesulfonamide
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors D020011 - Protective Agents
2-[(2S)-2-Amino-3-carboxypropanoyl]oxybutanedioic acid
N-{2-hydroxy-5-nitrobenzylidene}cyclopropanecarbohydrazide
8,5-Cyclo-2-deoxyadenosine
An organic heterotetracyclic compound obtained by intramolecular formation of a C-C bond between positions 8 and 5 of 2-deoxyadenosine.
N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester
1-Azepanyl-(4-methoxyphenyl)methanethione
C14H19NOS (249.11872839999998)
2-(4,5-dihydro-1H-imidazol-2-ylthio)-N-(4-methylphenyl)acetamide
C12H15N3OS (249.09357799999998)
Propionylamino-acetic acid 2-oxo-2-phenyl-ethyl ester
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]pyridin-2-amine
Ala-Cys-Gly
C8H15N3O4S (249.07832299999998)
A tripeptide composed of L-alanine, L-cysteine, and glycine joined in sequence by peptide linkages.
5-(3-Butoxyphenyl)-1,3,4-thiadiazol-2-amine
C12H15N3OS (249.09357799999998)
N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide
2-(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenylacetonitrile
(3Z)-9-methyldec-3-en-1-yl sulfate
An organosulfate oxoanion that is the conjugate base of (3Z)-9-methyldec-3-en-1-yl hydrogen sulfate. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii.
(3S,4E)-3-methyldec-4-en-1-yl sulfate
An organosulfate oxoanion that is the conjugate base of (3S,4E)-3-methyldec-4-en-1-yl hydrogen sulfate. It has been isolated from Daphnia pulex and has been found to induce morphological changes in the phytoplankton, Scenedesmus gutwinskii.
(R)-S(6)-acetyldihydrolipoamide
The (R)-enantiomer of S(6)-acetyldihydrolipoamide.
N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)methanamine
C14H13ClFN (249.07205000000002)
N-Acetyl-S-(2-carbamoyl-2-hydroxyethyl)-L-cysteine
C8H13N2O5S- (249.05451480000002)
[2-Chloroethyl-[(4-methylcyclohexyl)carbamoyl]amino]-oxidoazanium
C10H20ClN3O2 (249.12439700000002)
5-acetamido-3,5-dideoxy-L-arabino-hept-2-ulopyranosonic acid
2-oxo-4-(4-propan-2-yl-1-pyridin-1-iumyl)-3H-thiazole-5-carboxaldehyde
C12H13N2O2S+ (249.06976980000002)
2-[(4-Methoxy-1-benzouran-5-carbonyl)amino]acetic acid
6-[(Z)-hydroxyiminomethyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
1H-Indole-2,3-dione, 5-methoxy-1-(trimethylsilyl)-
C12H15NO3Si (249.08211599999998)
ethyl N-acetyl-beta-D-glucosaminide
An N-acetyl-beta-D-glucosaminide having ethyl as the anomeric substituent.
ML351
C15H11N3O (249.09020759999999)
ML351 is a potent and highly specific 15-LOX-1 inhibitor with an IC50 of 200 nM. ML351 shows excellent selectivity (>250-fold) versus the related isozymes, 5-LOX, platelet 12-LOX, 15-LOX-2, ovine COX-1, and human COX-2[1].?ML351 prevents dysglycemia and reduces β-cell oxidative stress in nonobese diabetic mouse model of T1D[2].
SY-LB-35
C15H11N3O (249.09020759999999)
SY-LB-35 is a potent bone morphogenetic protein (BMP) receptor agonist. SY-LB-35 can stimulate significant increases in cell number and cell viability in the C2C12 myoblast cell line, and causes shifts towards the S and G2/M phases of the cell cycle. SY-LB-35 stimulates canonical Smad and non-canonical PI3K/Akt, ERK, p38 and JNK intracellular signaling pathways[1].
n-methyl-n-[(2z)-3-(methylsulfanyl)prop-2-enoyl]-2-phenylacetamide
n-{2,8-dioxo-1,7-diazatricyclo[7.3.0.0³,⁷]dodec-9-en-6-yl}guanidine
C11H15N5O2 (249.12256900000003)
(z,2e)-3-phenyl-n-[(1z)-2-phenylethenyl]prop-2-enimidic acid
(2s,3r,4s)-7-methylidene-2-[(1e,3e)-penta-1,3-dien-1-yl]-2h,3h,4h-pyrano[2,3-c]pyrrole-3,4,5-triol
4,5-dehydroanhydrolycorine
{"Ingredient_id": "HBIN009997","Ingredient_name": "4,5-dehydroanhydrolycorine","Alias": "NA","Ingredient_formula": "C16H11NO2","Ingredient_Smile": "NA","Ingredient_weight": "249.26","OB_score": "NA","CAS_id": "212-38-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7921","PubChem_id": "NA","DrugBank_id": "NA"}
6,7-dimethoxy-n-methyl-3,4-dioxo-1(2h)-iso-quinolinone
{"Ingredient_id": "HBIN012082","Ingredient_name": "6,7-dimethoxy-n-methyl-3,4-dioxo-1(2h)-iso-quinolinone","Alias": "NA","Ingredient_formula": "C12H11NO5","Ingredient_Smile": "CN1C(=O)C2=CC(=C(C=C2C(=O)C1=O)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6259","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2z)-n-methyl-n-[2-(methylsulfanyl)acetyl]-3-phenylprop-2-enamide
3-hydroxy-2-methyl-2-[(1,3,4-trihydroxy-2-methylpentylidene)amino]propanoic acid
3,5-dihydroxy-7-methyl-2-[(1e)-pent-1-en-1-yl]-7h-pyrano[2,3-c]pyrrol-4-one
(2e,4e)-n-(2-methylpropyl)-6-(thiophen-2-yl)hexa-2,4-dienimidic acid
C14H19NOS (249.11872839999998)
1,9,10-trihydroxy-3-methylidene-6-(prop-1-en-1-yl)-2-azaspiro[4.5]deca-1,7-dien-4-one
2-({1-hydroxy-2-[(1-hydroxyethylidene)amino]propylidene}amino)benzenecarboximidic acid
6-{[(2r,3e)-5-hydroxy-4-methylpent-3-en-2-yl]imino}-1,9-dihydropurin-2-ol
C11H15N5O2 (249.12256900000003)
(3s,5s)-3-hydroxy-5-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrrolidine-2,4-dione
(2s,4r)-4-ethyl-4-hydroxy-5-[(2z)-3-oxopyridin-2-ylidene]pyrrolidine-2-carboximidic acid
3-hydroxy-6-methoxy-1-methyl-3-(2-oxopropyl)indol-2-one
4-[(2-carboxy-2-hydroxyethyl)sulfanyl]piperidine-2-carboxylic acid
C9H15NO5S (249.06708999999998)
3-hydroxy-2-methyl-2-[(1,2,4-trihydroxy-3-methylpentylidene)amino]propanoic acid
(4s)-7-acetyl-4-isopropyl-1h,4h-pyrido[2,1-c][1,4]oxazine-3,8-dione
(2s)-2-amino-3-(4-nitro-1h-indol-3-yl)propanoic acid
2-{[(2s)-1-hydroxy-2-[(1-hydroxyethylidene)amino]propylidene]amino}benzenecarboximidic acid
(3r)-3-hydroxy-6-methoxy-1-methyl-3-(2-oxopropyl)indol-2-one
5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-1(19),2,4(8),9,13,15,17-heptaene
n-[(3r,6r)-2,8-dioxo-1,7-diazatricyclo[7.3.0.0³,⁷]dodec-9-en-6-yl]guanidine
C11H15N5O2 (249.12256900000003)
3,5-dihydroxy-7-methyl-2-(pent-1-en-1-yl)-7h-pyrano[2,3-c]pyrrol-4-one
1-(1h-pyrrol-2-yl)-9h-pyrido[3,4-b]indol-6-ol
C15H11N3O (249.09020759999999)
(2s,4r)-4-ethyl-4-hydroxy-5-(3-hydroxypyridin-2-yl)-2,3-dihydropyrrole-2-carboximidic acid
n-(2-methylpropyl)-6-(thiophen-2-yl)hexa-2,4-dienimidic acid
C14H19NOS (249.11872839999998)
(2s)-3-hydroxy-2-methyl-2-{[(2r,3r,4r)-1,2,4-trihydroxy-3-methylpentylidene]amino}propanoic acid
10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaen-12-one
7-methylidene-2-(penta-1,3-dien-1-yl)-2h,3h,4h-pyrano[2,3-c]pyrrole-3,4,5-triol
(5s,6r,9r,10s)-1,9,10-trihydroxy-3-methylidene-6-[(1e)-prop-1-en-1-yl]-2-azaspiro[4.5]deca-1,7-dien-4-one
n-methyl-n-[2-(methylsulfanyl)acetyl]-3-phenylprop-2-enamide
(2r,4s)-4-{[(2r)-2-carboxy-2-hydroxyethyl]sulfanyl}piperidine-2-carboxylic acid
C9H15NO5S (249.06708999999998)
(2e)-n-methyl-n-[2-(methylsulfanyl)acetyl]-3-phenylprop-2-enamide
6-[(5-hydroxy-4-methylpent-3-en-2-yl)imino]-1,9-dihydropurin-2-ol
C11H15N5O2 (249.12256900000003)