Exact Mass: 252.0456
Exact Mass Matches: 252.0456
Found 500 metabolites which its exact mass value is equals to given mass value 252.0456,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Thiacloprid
D010575 - Pesticides > D007306 - Insecticides > D000073943 - Neonicotinoids D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 52; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7159; ORIGINAL_PRECURSOR_SCAN_NO 7155 CONFIDENCE standard compound; INTERNAL_ID 52; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7152; ORIGINAL_PRECURSOR_SCAN_NO 7150 CONFIDENCE standard compound; INTERNAL_ID 52; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7161; ORIGINAL_PRECURSOR_SCAN_NO 7158 CONFIDENCE standard compound; INTERNAL_ID 52; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7190; ORIGINAL_PRECURSOR_SCAN_NO 7188 CONFIDENCE standard compound; INTERNAL_ID 52; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7200; ORIGINAL_PRECURSOR_SCAN_NO 7197 CONFIDENCE standard compound; INTERNAL_ID 52; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7197; ORIGINAL_PRECURSOR_SCAN_NO 7195 INTERNAL_ID 52; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7197; ORIGINAL_PRECURSOR_SCAN_NO 7195 CONFIDENCE standard compound; INTERNAL_ID 3024 CONFIDENCE standard compound; INTERNAL_ID 8424 CONFIDENCE standard compound; INTERNAL_ID 4044 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2954 EAWAG_UCHEM_ID 2954; CONFIDENCE standard compound
Deoxyinosine
Deoxyinosine is a nucleoside that is formed when hypoxanthine is attached to a deoxyribose ring (also known as a ribofuranose) via a beta-N9-glycosidic bond. Deoxyinosine is found in DNA while inosine is found in RNA. Inosine is a nucleic acid important for RNA editing. Adenosine deaminase (ADA) catalyzes the conversion of adenosine and deoxyadenosine to inosine and deoxyinosine, respectively. ADA-deficient individuals suffer from severe combined immunodeficiency (SCID) and are unable to produce significant numbers of mature T or B lymphocytes. This occurs as a consequence of the accumulation of ADA substrates or their metabolites. Inosine is also an intermediate in a chain of purine nucleotides reactions required for muscle movements. Moreover, deoxyinosine is found to be associated with purine nucleoside phosphorylase (PNP) deficiency, which is an inborn error of metabolism. Isolated from Phaseolus vulgaris (kidney bean). 2-Deoxyinosine is found in pulses, yellow wax bean, and green bean. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 2’-deoxyadenosine inhibits the growth of human colon-carcinoma cell lines and is found to be associated with purine nucleoside phosphorylase (PNP) deficiency. 2’-deoxyadenosine inhibits the growth of human colon-carcinoma cell lines and is found to be associated with purine nucleoside phosphorylase (PNP) deficiency.
3,3'-Dichlorobenzidine
CONFIDENCE standard compound; INTERNAL_ID 2424 CONFIDENCE standard compound; INTERNAL_ID 49 D009676 - Noxae > D002273 - Carcinogens
Nebularine
Nebularine, also known as purine riboside is found in mushrooms. Nebularine can be isolated from the mushroom Clitocybe nebularis (clouded agaric). Nebularine is a nucleoside analog that is used in a variety of enzyme studies. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000970 - Antineoplastic Agents KEIO_ID P081; [MS2] KO009216 KEIO_ID P081
7-methoxyisoflavone
A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 7. relative retention time with respect to 9-anthracene Carboxylic Acid is 1.174 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.177 7-Methoxyisoflavone is an isoflavone derivative and also an activator of adenosine monophosphate-activated protein kinase (AMPK).
4-O-Methylisoflavone
A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 4.
5-Hydroxy-N-formylkynurenine
5-Hydroxy-N-formylkynurenine is an intermediate in tryptophan metabolism. 5-Hydroxy-N-formylkynurenine is converted from 5-Hydroxy-L-tryptophan via the enzyme, indoleamine 2,3-dioxygenase [EC:1.13.11.52]. [HMDB] 5-Hydroxy-N-formylkynurenine is an intermediate in tryptophan metabolism. 5-Hydroxy-N-formylkynurenine is converted from 5-Hydroxy-L-tryptophan via the enzyme, indoleamine 2,3-dioxygenase [EC:1.13.11.52].
2-Hydroxy-6-oxo-6-(4-chlorophenyl)hexa-2,4-dienoic acid
S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine
3-Methoxyflavone
The parent member of the class of 3-methoxyflavones that is flavone which carries a methoxy group at the 3-position.
5-Deoxyinosine
A 5-deoxyribonucleoside in which hypoxanthine is attached to 5-deoxyribofuranose via a beta-N(9)-glycosidic bond.
Tretazicar
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent COVID info from PDB, Protein Data Bank D011838 - Radiation-Sensitizing Agents D000970 - Antineoplastic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-O-(Z-p-Hydroxycinnamoyl)-(x)-glyceric acid
2-O-(Z-p-Hydroxycinnamoyl)-(x)-glyceric acid is found in cereals and cereal products. 2-O-(Z-p-Hydroxycinnamoyl)-(x)-glyceric acid is a constituent of Eleusine coracana (finger millet). Constituent of Eleusine coracana (finger millet). 2-O-(E-p-Hydroxycinnamoyl)-(x)-glyceric acid is found in cereals and cereal products.
7-Hydroxy-2-methylisoflavone
7-Hydroxy-2-methylisoflavone is found in herbs and spices. 7-Hydroxy-2-methylisoflavone is isolated from roots of Glycyrrhiza glabra (licorice). Isolated from roots of Glycyrrhiza glabra (licorice). 7-Hydroxy-2-methylisoflavone is found in tea and herbs and spices.
Cysteinyl-Methionine
Cysteinyl-Methionine is a dipeptide composed of cysteine and methionine. 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.
Methionyl-Cysteine
Methionyl-Cysteine is a dipeptide composed of methionine 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Hydroxyzileuton
Hydroxyzileuton is only found in individuals that have used or taken Zileuton. Hydroxyzileuton is a metabolite of Zileuton. Hydroxyzileuton belongs to the family of Benzothiophenes. These are organic compounds containing a benzene fused to a thiepine ring (a five-member ring with six carbon atoms and one sulfur atom).
Zileuton sulfoxide
Zileuton sulfoxide is only found in individuals that have used or taken Zileuton. Zileuton sulfoxide is a metabolite of Zileuton. Zileuton sulfoxide belongs to the family of Benzothiophenes. These are organic compounds containing a benzene fused to a thiepine ring (a five-member ring with six carbon atoms and one sulfur atom).
Anisindione
Anisindione is a synthetic anticoagulant and an indanedione derivative. It prevents the formation of active procoagulation factors II, VII, IX, and X, as well as the anticoagulant proteins C and S, in the liver by inhibiting the vitamin K-mediated gamma-carboxylation of precursor proteins. C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent
Nigakinone
Nigakinone is an alkaloid from the wood of Picrasma excelsa (Jamaican quassiawood
N5-(3,4-Dioxo-1,5-cyclohexadien-1-yl)-L-glutamine
N5-(3,4-Dioxo-1,5-cyclohexadien-1-yl)-L-glutamine is found in mushrooms. N5-(3,4-Dioxo-1,5-cyclohexadien-1-yl)-L-glutamine is isolated from the mushroom Agaricus bisporus (button mushroom Isolated from the mushroom Agaricus bisporus (button mushroom). N5-(3,4-Dioxo-1,5-cyclohexadien-1-yl)-L-glutamine is found in mushrooms.
Mono-(3-carboxypropyl) phthalate
Mono-(3-carboxypropyl) phthalate is also known as mono(3-carboxypropyl) phthalic acid. It is a non-specific metabolite of several phthalates, a metabolite of mono-n-butyl phthalate (MnBP), a secondary metabolite of di-n-butyl phthalate (DnBP), a metabolite of mono-n-octyl phthalate (MnOP), and a secondary metabolite of di-n-octyl phthalate (DnOP). It is classified as a member of the benzoic acid esters. Benzoic acid esters are ester derivatives of benzoic acid. Mono(3-carboxypropyl) phthalate is considered to be slightly soluble (in water) and acidic. (ChemoSummarizer)
4-Hydroxyvalerylcarnitine
4-Hydroxyvalerylcarnitine is an acylcarnitine. More specifically, it is an 4-hydroxypentanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 4-Hydroxyvalerylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 4-Hydroxyvalerylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. In particular 4-Hydroxyvalerylcarnitine is elevated in the blood or plasma of individuals with 3-hydroxy-3-methylglutaryl-coenzyme A lyase deficiency (PMID: 28583327) and holocarboxylase synthetase deficiency (PMID: 27114915). It is also decreased in the blood or plasma of individuals with psoriasis (PMID: 33391503). Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
4-(3-Phosphonopropyl)piperazine-2-carboxylic acid
N-[1-(Hydroxymethyl)-2-(4-nitrophenyl)-2-oxoethyl]acetamide
5-Ethynyl-2'-deoxyuridine
6,7-Dinitro-1,4-dihydroquinoxaline-2,3-dione
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists DNQX (FG 9041), a quinoxaline derivative, is a selective, potent competitive non-NMDA glutamate receptor antagonist (IC50s = 0.5, 2 and 40 μM for AMPA, kainate and NMDA receptors, respectively)[1].
[(2R,3S,4R,5R)-3,4,5,6-Tetrahydroxy-1-oxohexan-2-yl] 2-hydroxypropanoate
Thiacloprid
D010575 - Pesticides > D007306 - Insecticides > D000073943 - Neonicotinoids D016573 - Agrochemicals
Tretazicar
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent COVID info from PDB, Protein Data Bank D011838 - Radiation-Sensitizing Agents D000970 - Antineoplastic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
4-(3-Methylbutoxy)-4-oxo-2,2-bis(sulfanyl)butanoic acid
Tamarindienal
Tamarindienal is a member of the class of compounds known as medium-chain aldehydes. Medium-chain aldehydes are an aldehyde with a chain length containing between 6 and 12 carbon atoms. Tamarindienal can be found in tamarind, which makes tamarindienal a potential biomarker for the consumption of this food product.
9,10-Dihydro-1-hydroxy-9,10-dioxo-2-anthracenecarboxaldehyde
7-Methoxyflavone
7-Methoxyflavone is a compound isolated from Zornia brasiliensis. 7-Methoxyflavone has peripheral antinociceptive activity. 7-Methoxyflavone inhibits paw-licking time in the neurogenic phase of the formalin pain response (65.6\%) and did not decrease the nociceptive response in the inflammatory phase[1].
2-[2-(2-Cyano-3-fluoroanilino)-2-oxoethoxy]acetic acid
4,6-Bis(2-furyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
6-Methylflavonol
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.301 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.299
7-Hydroxy-3-methylflavone
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.155 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.156
7-Hydroxy-6-methoxy-4-(methylthio)-5-methylcoumarin
4-O-((1S)-1-carboxyethyl)-D-mannose|4-O-(1-Carboxyethyl)mannose|4-O-(1-carboxyethyl)-D-mannose|4-O-(1-carboxyethyl)mannose|4-O-<1-carboxyethyl>mannose
9-(Hydroxymethyl)-10-vinyl-3H-naphtho[2,1-b]pyran-3-one
2,7-dihydroxy-5H-phenanthro[4,5-bcd]pyran-5-one|unifloranthrone
8-Hydroxy-9-methyl-10-vinyl-3H-naphtho[2,1-b]pyran-3-one
3,8-Dihydroxy-4-methoxy-2-oxo-2-H-1-benzopyran-5-carboxylic acid
7-Methyl-8-hydroxy-10-vinyl-3H-naphtho[2,1-b]pyran-3-one
2-Bromo-N-methyltryptamine
A natural product found in Paramuricea clavata.
(E)-4-methoxy-2-(3,4-dihydroxybenzylidene)-4-oxobutanoic acid|sissooic acid
6-bromo-N-methyltryptamine
A natural product found in Paramuricea clavata.
3-((Xi)-Benzyliden)-6-methoxy-3H-benzofuran-2-on|3-Benzyliden-6-methoxy-cumaran-2-on|3-Benzylidene-6-methoxy-2(3H)-benzofuranone|3-benzylidene-6-methoxy-3H-benzofuran-2-one|6-methoxy-isoaurone|6-methoxyisoaurone
1-Methyl-4-(4-methoxyphenyl)-4-hydroxy-5-thioxoimidazolidin-2-one
1-hydroxy-3-ethyl-9,10-anthraquinone|3-Aethyl-1-hydroxy-anthrachinon|3-ethyl-1-hydroxy-anthraquinone|cordifoliol
Anthraquinone-2-carboxylic acid
Anthraquinone-2-carboxylic acid is a major anthraquinone isolated from Brazilian taheebo, with anti-inflammatory activity and antinociceptive[1]. Anthraquinone-2-carboxylic acid is a major anthraquinone isolated from Brazilian taheebo, with anti-inflammatory activity and antinociceptive[1].
2-(4-Hydroxyphenyl)-3-methylbenzofuran-5-carbaldehyde
A1-00200
7-Methoxyflavone is a member of flavonoids and an ether. 7-Methoxyflavone is a natural product found in Ziziphus mauritiana, Conchocarpus heterophyllus, and other organisms with data available. 7-Methoxyflavone is a compound isolated from Zornia brasiliensis. 7-Methoxyflavone has peripheral antinociceptive activity. 7-Methoxyflavone inhibits paw-licking time in the neurogenic phase of the formalin pain response (65.6\%) and did not decrease the nociceptive response in the inflammatory phase[1].
Oprea1_109952
3-Methoxyflavone is a flavonoid compound isolated from Artemisia incanescens with antiviral activity[1][2].
AQCA-9,10
Anthraquinone-2-carboxylic acid is a natural product found in Handroanthus impetiginosus with data available. Anthraquinone-2-carboxylic acid is a major anthraquinone isolated from Brazilian taheebo, with anti-inflammatory activity and antinociceptive[1]. Anthraquinone-2-carboxylic acid is a major anthraquinone isolated from Brazilian taheebo, with anti-inflammatory activity and antinociceptive[1].
Nebularine
A purine ribonucleoside that is 9H-purine attached to a beta-D-ribofuranosyl residue at position 9 via a glycosidic (N-glycosyl) linkage. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000970 - Antineoplastic Agents relative retention time with respect to 9-anthracene Carboxylic Acid is 0.257 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.250
2-Morpholinothiobenzothiazole
CONFIDENCE standard compound; INTERNAL_ID 2878 CONFIDENCE standard compound; INTERNAL_ID 8842
Deoxyinosine
2’-deoxyadenosine inhibits the growth of human colon-carcinoma cell lines and is found to be associated with purine nucleoside phosphorylase (PNP) deficiency. 2’-deoxyadenosine inhibits the growth of human colon-carcinoma cell lines and is found to be associated with purine nucleoside phosphorylase (PNP) deficiency.
(2Z)-2-benzylidene-6-methoxy-1-benzofuran-3(2H)-one
2-(4-methoxyphenyl)chromen-4-one [IIN-based on: CCMSLIB00000847204]
5-methoxy-2-phenylchromen-4-one [IIN-based on: CCMSLIB00000847375]
5-methoxy-2-phenylchromen-4-one [IIN-based: Match]
2-(4-methoxyphenyl)chromen-4-one [IIN-based: Match]
(E)-Thiacloprid
2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-methoxy-
gamma-L-Glutaminyl-3,4-benzoquinone
2-O-(Z-p-Hydroxycinnamoyl)-(x)-glyceric acid
4-(Chloromethyl)-5-methyl-2-(4-nitrophenyl)-1,3-oxazole
2-amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
6-fluoro-2,3-dihydro-2H,5H-spiro[imidazolidine-4,4-thiochromene]-2,5-dione
6-Chloro-1,2-dihydro-2-oxospiro[4H-3,1-benzoxazin-4,4-piperidine]
ethyl 2-[(2-ethoxy-2-oxoethyl)sulfanylmethylsulfanyl]acetate
3-amino-4-hydroxy-5-nitrobenzenesulfonic acid,hydrate
3-ALLYL-5,6-DIMETHYL-2-THIOXO-2,3-DIHYDROTHIENO[2,3-D]PYRIMIDIN-4(1H)-ONE
4,4-Dichlorobenzhydrol
A secondary alcohol that is diphenylmethanol which carries chloro groups at positions 4 and 4. It is a metabolite of the insecticide DDT.
3-(1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL)PROPANOIC ACID
1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carbonitrile
Ethyl 3-amino-4-methoxythieno[2,3-b]pyridine-2-carboxylate
6-chloro-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one
Methyl 2-amino-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
6-Bromo-4,4-dimethyl-3,4-dihydro-2H-naphthalen-1-one
(S)-3-AMINO-4-(PYRIDIN-4-YL)BUTANOIC ACID DIHYDROCHLORIDE
4-AMINO-5-(3,5-DIMETHOXYPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
3-[(4-FLUOROBENZYL)OXY]-2-THIOPHENECARBOXYLIC ACID
DIMETHYL(N,N,N,N-TETRAMETHYLETHYLENEDIAMINE)PALLADIUM(II)
(S)-(+)-alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride
1-(4-Chlorophenyl)-4-oxocyclohexanecarboxylic acid
1,2,3,4-Tetramethyl-1,2,3,4-cyclobutanetetracarboxylic Dianhydride
1-METHYL-4-(S-TRIFLUOROMETHYL-[1,3,4]THIODIAZOL-Z-YL)PIPERAZINE
5-Amino-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-acetamide
5-CHLORO-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-Methoxyethyl 2-aminobenzo[d]thiazole-6-carboxylate
5-Amino-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-acetamide
Ethyl 2-(3-chloro-2-fluorophenyl)-2,2-difluoroacetate
N-(4-CHLOROBENZO[D]THIAZOL-2-YL)CYCLOPROPANECARBOXAMIDE
naproxen sodium
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors 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 D018501 - Antirheumatic Agents > D006074 - Gout Suppressants C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
4-Amidinophenylmethanesulfonyl fluoride hydrochloride
(2,3,5,6-TETRAFLUORO-4-ISOPROPOXYPHENYL)BORONIC ACID
2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-3-(PHENYLMETHYL)-
1-(4-methoxy-2,5-dimethylbenzyl)hydrazine dihydrochloride
3-(4-DIMETHYLAMINO-PHENYL)-2-THIOXO-THIAZOLIDIN-4-ONE
4-[alpha-(4-Cyanophenyl)-chloromethyl]-benzonitrile
ethyl 5-(3-chlorophenyl)-1,2,4-oxadiazole-3-carboxylate
(5,6-DIHYDRO-4H-[1,3]THIAZIN-2-YL)-(2,5-DIMETHOXY-PHENYL)-AMINE
5-[(4-chlorophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
3-(6-NITRO-2-OXO-1,3-BENZOXAZOL-3(2H)-YL)PROPANOIC ACID
5,6-DIMETHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
Ethyl 2-Amino-2-(2-pyridinyl)acetate Dihydrochloride
5-(4-CHLORO-PHENOXYMETHYL)-FURAN-2-CARBOXYLIC ACID
4-AMINO-5-(3,4-DIMETHOXY-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
7-Acetamido-8-nitro-3,4-Dihydro-2H-1,5-benzodioxepine
Methyl (6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)(oxo)acet ate
1H-Pyrrolo[2,3-b]pyridine, 4-bromo-2-(1,1-dimethylethyl)-
methyl (Z)-5-chloro-3-hydroxy-2-methylidene-5-phenylpent-4-enoate
9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione
5-(2-CHLORO-PHENOXYMETHYL)-FURAN-2-CARBOXYLIC ACID
5-((4-NITROPHENOXY)METHYL)-1,3,4-THIADIAZOL-2-AMINE
2-bromo-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
3-Chloro-5,6-dihydro-1-(4-nitrophenyl)-2(1H)-pyridinone
1-(3-chloropropyl)piperazine,hydrate,dihydrochloride
5,6-DIHYDROXY-2-THIOPHEN-2-YL-PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER
3-(4-CHLORO-PHENYL)-[1,2,4]OXADIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
ethyl 3-(3-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate
(R)-3-AMINO-4-(PYRIDIN-4-YL)BUTANOIC ACID DIHYDROCHLORIDE
(S)-3-AMINO-4-(PYRIDIN-3-YL)BUTANOIC ACID DIHYDROCHLORIDE
1H-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLIC ACID,4-CHLORO-, 1,1-DIMETHYLETHYL ESTER
Ethyl 2-(chlorosulfonyl)-1-cyclohexene-1-carboxylate
Mono(3-carboxypropyl) Phthalate
A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of 4-hydroxybutyric acid.
Methyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate
Methyl 2-amino-5-(2-fluorophenyl)-1,3-thiazole-4-carboxylate
Ethyl 2-Amino-2-(4-pyridinyl)acetate Dihydrochloride
ETHYL 6-CHLORO-3-OXO-3,4-DIHYDROQUINOXALINE-2-CARBOXYLATE
N-(2,4-Difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
[2-methylsulfanyl-5-(trifluoromethoxy)phenyl]boronic acid
(S)-2-Amino-3-(3-aminophenyl)propanoic acid dihydrochloride
(4-METHYL-6-TRIFLUOROMETHYL-PYRIMIDIN-2-YLSULFANYL)-ACETIC ACID
Thieno[2,3-d]pyrimidine-6-carboxylicacid, 1,4-dihydro-2,5-dimethyl-4-oxo-, ethyl ester
2,4,6-Cycloheptatrien-1-one,2-hydroxy-3-(1-oxo-3-phenyl-2-propen-1-yl)-
CHLORO-ACETIC ACID 4-METHYL-2-OXO-2H-CHROMEN-7-YL ESTER
(R)-3-AMINO-4-(PYRIDIN-3-YL)BUTANOIC ACID DIHYDROCHLORIDE
Propanal, 2-methyl-,2-(2,4-dinitrophenyl)hydrazone
N-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropionamide
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
1-chloro-4-[(4-fluorophenyl)sulfanylmethyl]benzene
1-(2-Chlorophenyl)-4-oxocyclohexanecarboxylic acid
Cndac
A pyrimidine 2-deoxyribonucleoside that is 2-deoxycytidine having a cyano group in the 2-position. It is the active metabolite of the anti-cancer drug, sapacitabine which is currently in clinical development for the treatment of hematologic malignancies and solid tumors. C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite
2-Chloro-1-[2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolyl]ethanone
(E)-3-(5-nitrothiophen-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one
3-(2,4-Dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
{4-[5-(Trifluoromethyl)pyridin-2-yl]phenyl}methylamine
4-(Acetylamino)-3-[(hydroxyacetyl)amino]benzoic acid
(5r)-2-[(2-Fluorophenyl)amino]-5-(1-Methylethyl)-1,3-Thiazol-4(5h)-One
(2z,4e)-3-Chloro-2-Hydroxy-6-Oxo-6-Phenylhexa-2,4-Dienoic Acid
(E)-1-(L-cystein-S-yl)-N-hydroxy-omega-(methylsulfanyl)butan-1-imine
(2S,3S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-3-azaniumyl-3,6-dihydro-2H-pyran-2-carboxylate
4aalpha,8aalpha-Dimethyl-4a,4balpha,8a,8balpha-tetrahydrocyclobuta[1,2-d:3,4-d]dipyrimidine-2,4,6,8(1H,3H,5H,7H)-tetraone
(2S,3R)-2-amino-4-(2-formamidophenyl)-3-hydroxy-4-oxobutanoic acid
9-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
[2,3,4,5-Tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] propanoate
[(2R,3S,4R,5R)-3,4,5,6-Tetrahydroxy-1-oxohexan-2-yl] 2-hydroxypropanoate
Caffeoylglycolic acid methyl ester
A cinnamate ester obtained by the condensation of trans-caffeic acid with methyl hydroxyacetate. It is isolated from the leaves of Parthenocissus tricuspidata and exhibits antioxidant activity.
5,7-Difluoro-6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
4-(2-chloro-6-fluorobenzyl)-1,3,5-trimethyl-1H-pyrazole
2-Cyclopropylimino-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
6-(Carboxymethoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
(2E,4Z)-6-(4-chlorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid
5-(3-Carboxy-3-oxoprop-1-en-1-yl)-4-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylate
(5E)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[4-(Hydroxyamino)-3-(4-nitrophenyl)-1,2-oxazol-5-yl]-oxidoazanium
(Z)-3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-2-hydroxyprop-2-enal
1,4-Benzenedicarboxylic acid, methyl trimethylsilyl ester
3,4-Methylenedioxyphenylacetic acid, trimethylsilyl ester
2-Deoxyinosine
A purine 2-deoxyribonucleoside that is inosine in which the hydroxy group at position 2 is replaced by a hydrogen. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 2’-deoxyadenosine inhibits the growth of human colon-carcinoma cell lines and is found to be associated with purine nucleoside phosphorylase (PNP) deficiency. 2’-deoxyadenosine inhibits the growth of human colon-carcinoma cell lines and is found to be associated with purine nucleoside phosphorylase (PNP) deficiency.
DNQX
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists DNQX (FG 9041), a quinoxaline derivative, is a selective, potent competitive non-NMDA glutamate receptor antagonist (IC50s = 0.5, 2 and 40 μM for AMPA, kainate and NMDA receptors, respectively)[1].
5-Hydroxy-N-formylkynurenine
A non-proteinogenic alpha-amino acid that is 5-hydroxykynurenine bearing an N-formyl substituent.
4a,4b-dimethylhexahydro-1,3,6,8-tetraazabiphenylene-2,4,5,7-tetrone
A member of the class of cyclobutadipyrimidines that is hexahydro-1,3,6,8-tetraazabiphenylene-2,4,5,7-tetrone carrying two additional methyl substituents at positions 4a and 4b.
Hypoxanthine, 9-(2-deoxy-beta-D-erythro-pentofuranosyl)-
N-acetyl-S-benzyl-L-cysteine(1-)
An S-substituted N-acetyl-L-cysteinate that is the conjugate base of N-acetyl-S-benzyl-L-cysteine resulting from the deprotonation of the carboxy group; major species at pH 7.3.
3'-Deoxyinosine
3'-Deoxyinosine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
6-(2-chloro-1-hydroxy-2-phenylethyl)-5,6-dihydropyran-2-one
(2s)-2-[(3,4-dioxocyclohexa-1,5-dien-1-yl)amino]-4-(c-hydroxycarbonimidoyl)butanoic acid
10-ethenyl-8-hydroxy-9-methylbenzo[f]chromen-3-one
(6r)-6-[(1r,2r)-2-chloro-1-hydroxy-2-phenylethyl]-5,6-dihydropyran-2-one
2-[(3,4-dihydroxyphenyl)methylidene]-4-methoxy-4-oxobutanoic acid
2-amino-4-{5-hydroxy-2-[(hydroxymethylidene)amino]phenyl}-4-oxobutanoic acid
2-hydroxy-3-methylanthraquinone; me ether
{"Ingredient_id": "HBIN005746","Ingredient_name": "2-hydroxy-3-methylanthraquinone; me ether","Alias": "NA","Ingredient_formula": "C16H12O3","Ingredient_Smile": "NA","Ingredient_weight": "252.26","OB_score": "NA","CAS_id": "17241-42-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8619","PubChem_id": "NA","DrugBank_id": "NA"}
8-chlorogoniodiol
{"Ingredient_id": "HBIN013688","Ingredient_name": "8-chlorogoniodiol","Alias": "NA","Ingredient_formula": "C13H13ClO3","Ingredient_Smile": "C1C=CC(=O)OC1C(C(C2=CC=CC=C2)Cl)O","Ingredient_weight": "252.69 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3555","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10988787","DrugBank_id": "NA"}
8-hydroxy-5,6,7-trimethoxycoumarin
{"Ingredient_id": "HBIN013764","Ingredient_name": "8-hydroxy-5,6,7-trimethoxycoumarin","Alias": "NA","Ingredient_formula": "C12H12O6","Ingredient_Smile": "COC1=C(C(=C(C2=C1C=CC(=O)O2)O)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10785","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9-hydroxycanthin-6-one 3-n-oxide
{"Ingredient_id": "HBIN014119","Ingredient_name": "9-hydroxycanthin-6-one 3-n-oxide","Alias": "NA","Ingredient_formula": "C14H8N2O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9886","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
