Exact Mass: 251.1109
Exact Mass Matches: 251.1109
Found 500 metabolites which its exact mass value is equals to given mass value 251.1109,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cordycepin
Cordycepin is a 3-deoxyribonucleoside and a member of adenosines. It has a role as an antimetabolite and a nucleoside antibiotic. Cordycepin has been used in trials studying the treatment of Leukemia. Cordycepin is a natural product found in Aspergillus nidulans, Streptomyces sparsogenes, and other organisms with data available. Cordycepin is a purine nucleoside antimetabolite and antibiotic isolated from the fungus Cordyceps militaris with potential antineoplastic, antioxidant, and anti-inflammatory activities. Cordycepin is an inhibitor of polyadenylation, activates AMP-activated protein kinase (AMPK) and reduces mammalian target of rapamycin (mTOR) signaling, which may result in both the induction of tumor cell apoptosis and a decrease in tumor cell proliferation. mTOR, a serine/threonine kinase belonging to the phosphatidylinositol 3-kinase (PI3K)-related kinase (PIKK) family, plays an important role in the PI3K/AKT/mTOR signaling pathway that regulates cell growth and proliferation, and its expression or activity is frequently dysregulated in human cancers. C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D009676 - Noxae > D009153 - Mutagens D000970 - Antineoplastic Agents Cordycepin (3'-Deoxyadenosine) is a nucleoside derivative and inhibits IL-1β-induced MMP-1 and MMP-3 expression in rheumatoid arthritis synovial fibroblasts (RASFs) in a dose-dependent manner[1]. Cordycepin kills Mycobacterium tuberculosis through hijacking the bacterial adenosine kinase[2]. Cordycepin (3'-Deoxyadenosine) is a nucleoside derivative and inhibits IL-1β-induced MMP-1 and MMP-3 expression in rheumatoid arthritis synovial fibroblasts (RASFs) in a dose-dependent manner[1]. Cordycepin kills Mycobacterium tuberculosis through hijacking the bacterial adenosine kinase[2]. Cordycepin (3'-Deoxyadenosine) is a nucleoside derivative and inhibits IL-1β-induced MMP-1 and MMP-3 expression in rheumatoid arthritis synovial fibroblasts (RASFs) in a dose-dependent manner[1]. Cordycepin kills Mycobacterium tuberculosis through hijacking the bacterial adenosine kinase[2].
Prosulfocarb
CONFIDENCE standard compound; EAWAG_UCHEM_ID 71 CONFIDENCE standard compound; INTERNAL_ID 4063 CONFIDENCE standard compound; INTERNAL_ID 2570 CONFIDENCE standard compound; INTERNAL_ID 8398
Deoxyadenosine
Deoxyadenosine is a derivative of the nucleoside adenosine. It is composed of adenine attached to a deoxyribose moiety via a N9-glycosidic bond. Deoxyribose differs from ribose by the absence of oxygen in the 3 position of its ribose ring. Deoxyadenosine is a critical component of DNA. When present in sufficiently high levels, deoxyadensoine can act as an immunotoxin and a metabotoxin. An immunotoxin disrupts, limits the function, or destroys immune cells. A metabotoxin is an endogenous metabolite that causes adverse health effects at chronically high levels. Chronically high levels of deoxyadenosine are associated with adenosine deaminase (ADA) deficiency, an inborn error of metabolism. ADA deficiency damages the immune system and causes severe combined immunodeficiency (SCID). People with SCID lack virtually all immune protection from bacteria, viruses, and fungi. They are prone to repeated and persistent infections that can be very serious or life-threatening. These infections are often caused by "opportunistic" organisms that ordinarily do not cause illness in people with a normal immune system. The main symptoms of ADA deficiency are pneumonia, chronic diarrhea, and widespread skin rashes. The mechanism by which dATP functions as an immunotoxin is as follows: because deoxyadenosine is a precursor to dATP, a buildup of dATP in cells inhibits ribonucleotide reductase and prevents DNA synthesis, so cells are unable to divide. Since developing T cells and B cells are some of the most mitotically active cells, they are unable to divide and propagate to respond to immune challenges. High levels of deoxyadenosine also lead to an increase in S-adenosylhomocysteine, which is toxic to immature lymphocytes. Deoxyadenosine is a derivative of nucleoside adenosine. It is comprised of adenine attached to a deoxyribose moiety via a N9-glycosidic bond. Deoxyribose differs from ribose by the absence of oxygen in the 3 position of its ribose ring. Deoxyadenosine is a critical component of DNA. [HMDB] Acquisition and generation of the data is financially supported in part by CREST/JST. D000890 - Anti-Infective Agents > D000998 - Antiviral Agents COVID info from COVID-19 Disease Map D009676 - Noxae > D009153 - Mutagens KEIO_ID D069 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 2'-Deoxyadenosine is a nucleoside adenosine derivative, pairing with deoxythymidine (T) in double-stranded DNA. 2'-Deoxyadenosine is a nucleoside adenosine derivative, pairing with deoxythymidine (T) in double-stranded DNA. 2'-Deoxyadenosine is a nucleoside adenosine derivative, pairing with deoxythymidine (T) in double-stranded DNA.
Muramic acid
Muramic acid is an amino sugar acid. In terms of chemical composition, it is the ether of lactic acid and glucosamine. It occurs naturally as N-acetylmuramic acid in peptidoglycan, whose primary function is a structural component of many typical bacterial cell walls. Muramic acid, also known as muramate or murexide, belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group. Muramic acid is an amino sugar acid. It occurs naturally as N-acetylmuramic acid in peptidoglycan, whose primary function is a structural component of many typical bacterial cell walls. In terms of chemical composition, it is the ether of lactic acid and glucosamine. Muramic acid is a marker of bacterial peptidoglycan, in environmental and clinical specimens. (PMID: 10778926) [HMDB] Muramic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=1114-41-6 (retrieved 2024-07-01) (CAS RN: 1114-41-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
5'-Deoxyadenosine
5-Deoxyadenosine is an oxidized nucleoside found in the urine of normal subjects. Oxidized nucleosides represent excellent biomarkers for determining the extent of damage in genetic material, which has long been of interest in understanding the mechanism of aging, neurodegenerative diseases, and carcinogenesis. (PMID 15116424). The normal form of deoxyadenosine used in DNA synthesis and repair is 2-deoxyadenosine where the hydroxyl group (-OH) is at the 2 position of its ribose sugar moiety. 5-deoxyadenosine has its hydroxyl group at the 5 position of the ribose sugar. [HMDB] 5-Deoxyadenosine is an oxidized nucleoside found in the urine of normal subjects. Oxidized nucleosides represent excellent biomarkers for determining the extent of damage in genetic material, which has long been of interest in understanding the mechanism of aging, neurodegenerative diseases, and carcinogenesis. (PMID 15116424). The normal form of deoxyadenosine used in DNA synthesis and repair is 2-deoxyadenosine where the hydroxyl group (-OH) is at the 2 position of its ribose sugar moiety. 5-deoxyadenosine has its hydroxyl group at the 5 position of the ribose sugar. KEIO_ID D082; [MS2] KO008948 KEIO_ID D082 5'-Deoxyadenosine is an oxidized nucleoside found in the urine of normal subjects. 5'-Deoxyadenosine shows anti-orthopoxvirus activity[1]. 5'-Deoxyadenosine is an oxidized nucleoside found in the urine of normal subjects. 5'-Deoxyadenosine shows anti-orthopoxvirus activity[1].
4-Hydroxy-3-methoxy-cinnamoylglycine
4-Hydroxy-3-methoxy-cinnamoylglycine belongs to the family of Acyl Glycines. These are organic compounds containing a glycine residue with the N-atom attached to another moiety through an N-ester bond
9H-Purine-9-butanoic acid, 6-amino-alpha-hydroxy-, methyl ester
7-Aminonitrazepam
7-aminonitrazepam belongs to the family of Benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).
N-desmethylmirtazapine
N-desmethylmirtazapine is a metabolite of mirtazapine. Mirtazapine (Remeron, Avanza, Zispin) is a noradrenergic and specific serotonergic antidepressant (NaSSA) which was introduced by Organon International in the United States in 1990 and is used primarily in the treatment of depression. It is also commonly used as an anxiolytic, hypnotic, antiemetic, and appetite stimulant. Structurally, mirtazapine can also be classified as a tetracyclic antidepressant (TeCA). (Wikipedia)
N-Phenylacetylaspartic acid
N-Phenylacetylaspartic acid is found in pulses. N-Phenylacetylaspartic acid is a constituent of pea (Pisum sativum) Constituent of pea (Pisum sativum). N-Phenylacetylaspartic acid is found in pulses and common pea.
N-(1-Deoxy-1-fructosyl)alanine
Fructose aminoacids are naturally occurring compounds derived from D-fructose and L-aminoacids. They are amadori products resulting from sugar-aminoacid interactions in food products, especially cooked foods [CCD]. N-(1-Deoxy-1-fructosyl)alanine is found in green vegetables and root vegetables. N-(1-Deoxy-1-fructosyl)alanine is found in green vegetables. N-(1-Deoxy-1-fructosyl)alanine is classified as a Natural Food Constituent (code WA) in the DFC.
cycloguanil
cycloguanil is a metabolite of proguanil. Proguanil (chlorguanide, chloroguanide) is a prophylactic antimalarial drug. When taken it is converted to the active metabolite cycloguanil. Proguanil is effective against sporozoites. Proguanil hydrochloride is marketed as Paludrine by AstraZeneca. (Wikipedia) D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D007004 - Hypoglycemic Agents > D001645 - Biguanides
N-Carboxyacetyl-D-phenylalanine
N-Carboxyacetyl-D-phenylalanine is found in pulses. N-Carboxyacetyl-D-phenylalanine is isolated from pea seedlings. Isolated from pea seedlings. N-Carboxyacetyl-D-phenylalanine is found in pulses.
Didesmethyl doxepin
Didesmethyl doxepin is a metabolite of doxepin. Doxepin is a psychotropic agent with tricyclic antidepressant and anxiolytic properties, known under many brand-names such as Aponal, the original preparation by Boehringer-Mannheim, now part of the Roche group; Adapine, Doxal, Deptran, Sinquan and Sinequan. As doxepin hydrochloride, it is the active ingredient in cream-based preparations (Zonalon and Xepin) for the treatment of dermatological itch. (Wikipedia)
5-Chloro-1,3-dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one
5-Chloro-1,3-dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one is a metabolite of domperidone. Domperidone (trade names Motilium, Motillium, Motinorm Costi and Nomit) is an antidopaminergic drug, developed by Janssen Pharmaceutica, and used orally, rectally or intravenously, generally to suppress nausea and vomiting, as a prokinetic agent and for promoting lactation. (Wikipedia)
Glycine, N-[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-
2-Methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one
3,N(4)-Ethenodeoxycytidine
Besipirdine
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
2-[Cyclopentyloxy(methyl)phosphoryl]sulfanyl-N,N-dimethylethanamine
4-Amino-1-[(1S,2S,4S)-4,5-bis(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]pyrimidin-2-one
9H-Purine-9-butanoic acid, 6-amino-alpha-hydroxy-, methyl ester
Ethylmethylhydroxypyridine succinate
Midaglizole
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D007004 - Hypoglycemic Agents Midaglizole ((±)-DG5128 free base; DG5128 free base) is a potent α2-adrenoceptor antagonist. Midaglizole is a hypoglycemic agent. Midaglizole increases blood pressure and reduces blood glucose levels in vivo[1][2][3]. Midaglizole ((±)-DG5128 free base; DG5128 free base) is a potent α2-adrenoceptor antagonist. Midaglizole is a hypoglycemic agent. Midaglizole increases blood pressure and reduces blood glucose levels in vivo[1][2][3].
[(2R,3S,4R,5R)-3,4,5,6-Tetrahydroxy-1-oxohexan-2-yl] (2S)-2-aminopropanoate
Tempo-maleimide
4-hydroxy-1-methyl-3-phenyl-1,2-dihydroquinolin-2-one
dimethachlor OXA
A monocarboxylic acid that is oxoacetic acid substituted by a (2,6-dimethylphenyl)(2-methoxyethyl)amino group at position 2. CONFIDENCE standard compound; EAWAG_UCHEM_ID 2536 EAWAG_UCHEM_ID 2536; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 2044
1-Oxo-2-methyl-5,6,7-trimethoxy-1,2,3,4-tetrahydro-isochinolin|3,4-Dihydro-5,6,7-trimetoxy-2-methyl-1(2H)-isoquinolinone|5,6,7-trimethoxy-2-methyl-3,4-dihydro-2H-isoquinolin-1-one|N-Methyl-thalidaldin
2-Phenylethylamide-(E)-2-Nonene-6,8-diynoic acid|nona-2E-en-6,8-diynoic acid 2-phenylethylamide
2-[(3S)-3-carboxy-3-methylpropionyl]aminobenzoic acid|N-(3S-carboxy-3-methylpropionyl)anthranilic acid
7-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1,3-oxazepine-5,6-diol
huaspenone C|methyl (5S)-2-amino-5-[(1E,3E)-hexa-1,3-dien-1-yl]-5-methyl-4-oxo-4,5-dihydrofuran-3-carboxylate
N,N-dihydroxypentahomomethionine
An N,N-dihydroxy-alpha-amino acid having a 8-thianonyl substituent at the 2-position.
2-Deoxyadenosine
A purine 2-deoxyribonucleoside having adenine as the nucleobase. D000890 - Anti-Infective Agents > D000998 - Antiviral Agents COVID info from COVID-19 Disease Map D009676 - Noxae > D009153 - Mutagens Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Formula(Parent): C10H13N5O3; Bottle Name:2-Deoxyadenosine monohydrate; PRIME Parent Name:2-Deoxyadenosine; PRIME in-house No.:0140, Purines relative retention time with respect to 9-anthracene Carboxylic Acid is 0.265 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.269 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.261 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.263 2'-Deoxyadenosine is a nucleoside adenosine derivative, pairing with deoxythymidine (T) in double-stranded DNA. 2'-Deoxyadenosine is a nucleoside adenosine derivative, pairing with deoxythymidine (T) in double-stranded DNA. 2'-Deoxyadenosine is a nucleoside adenosine derivative, pairing with deoxythymidine (T) in double-stranded DNA.
(E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide
5-Deoxyadenosine
A 5-deoxyribonucleoside compound having adenosine as the nucleobase. 5'-Deoxyadenosine is an oxidized nucleoside found in the urine of normal subjects. 5'-Deoxyadenosine shows anti-orthopoxvirus activity[1]. 5'-Deoxyadenosine is an oxidized nucleoside found in the urine of normal subjects. 5'-Deoxyadenosine shows anti-orthopoxvirus activity[1].
Dipropyl isocinchomeronate
CONFIDENCE standard compound; INTERNAL_ID 1351; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9212; ORIGINAL_PRECURSOR_SCAN_NO 9211 CONFIDENCE standard compound; INTERNAL_ID 1351; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9208; ORIGINAL_PRECURSOR_SCAN_NO 9207 CONFIDENCE standard compound; INTERNAL_ID 1351; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9225; ORIGINAL_PRECURSOR_SCAN_NO 9223 CONFIDENCE standard compound; INTERNAL_ID 1351; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9244; ORIGINAL_PRECURSOR_SCAN_NO 9242 CONFIDENCE standard compound; INTERNAL_ID 1351; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9251; ORIGINAL_PRECURSOR_SCAN_NO 9250 CONFIDENCE standard compound; INTERNAL_ID 1351; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9254; ORIGINAL_PRECURSOR_SCAN_NO 9252
(E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide_major
(E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide_2.3\\%
Cycloguanil
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D007004 - Hypoglycemic Agents > D001645 - Biguanides
4-Hydrazinyl-1-piperidinecarboxylic acid 1,1-dimethylethyl ester hydrochloride
tert-butyl 3-formyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate
PICODRALAZINE
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
2-(2-p-tolyl-imidazo[1,2-a]pyridin-3-yl)-ethylamine
2-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine
2-chloro-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone
Methyl (R)-3-acetamido-3-(4-methoxyphenyl)propanoate
Benzenebutanoic acid, b-(acetylamino)-a-hydroxy-g-oxo-, (aR,bS)-rel-
1,2-Dihydro-2-(4-methylphenyl)-5-phenyl-3H-1,2,4-triazol-3-one
8-methoxy-5-methylquinoline-2-carboximidamide,hydrochloride
1-ethoxyisoquinoline-3-carboximidamide,hydrochloride
3-(2-Chloro-4-(cyclopentylamino)pyrimidin-5-yl)prop-2-yn-1-ol
3-(((Benzyloxy)carbonyl)amino)-3-methylbutanoic acid
4-[methyl(phenylmethoxycarbonyl)amino]butanoic acid
methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate
8-Benzyl-8-azabicyclo[3.2.1]octan-3-one hydrochloride
methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate
2-(METHYLSULFANYL)PYRIDINE-3-BORONIC ACID PINACOL, ESTER
6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE-1-ACETIC ACID
tert-butyl 4-oxo-3,4,5,6-tetrahydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate
1H-Imidazole-4-carboxylicacid,5-[(cyclohexylamino)carbonyl]-,hydrazide
TERT-BUTYL ((1R,2S)-3,3-DIFLUORO-2-HYDROXYCYCLOHEXYL)CARBAMATE
BENZYL (1-AMINO-1-(HYDROXYIMINO)-2-METHYLPROPAN-2-YL)CARBAMATE
(4-(Cyclopentylcarbamoyl)-3-fluorophenyl)boronic acid
(3-Fluoro-4-(piperidine-1-carbonyl)phenyl)boronic acid
ETHYL 4-HYDROXY-2-(PIPERIDIN-1-YL)PYRIMIDINE-5-CARBOXYLATE
Ethanethione,2-(4-methoxyphenyl)-1-(4-morpholinyl)-
2,2,6,6-tetramethyl-4-((methylsulfonyl)oxy)-1-piperidinyloxy
ETHYL 4-METHYL-2-MORPHOLINOPYRIMIDINE-5-CARBOXYLATE
methyl 4-[[(2-ethoxy-2-oxoethyl)amino]methyl]benzoate
4-HYDROXY-7-METHYL-3-PHENYL-1,2-DIHYDROQUINOLIN-2-ONE
4-FLUORO-3-(PIPERIDIN-1-YLCARBONYL)BENZENEBORONIC ACID
1-(((2R,3S)-2-(2,5-difluorophenyl)-3-Methyloxiran-2-yl)Methyl)-1H-1,2,4-triazole
2-((tert-Butoxycarbonyl)(methyl)amino)benzoic acid
2-(4-nitrophenyl) hydrazide ethanedioic acid monoethyl ester
1-(5-nitropyridin-2-yl)piperidine-3-carboxylic acid
1-(5-Nitro-2-pyridinyl)piperidine-4-carboxylic acid
(S)-1-(1,2-DIHYDROACENAPHTHYLEN-1-YL)PIPERIDIN-4-ONE
tert-Butyl (2,3-dihydrobenzo[b][1,4]dioxin-5-yl)carbamate
6-[Methyl(2-propyn-1-yl)amino]-5,6,7,8-tetrahydro-1-naphthalenol hydrochloride (1:1)
2-AMINO-5,8-DIMETHOXY-1,2,3,4-TETRAHYDRONAPHTHALENE-2-CARBOXYLIC ACID
9H-Purin-2-amine,9-(2-deoxy-b-D-erythro-pentofuranosyl)-
6-(Methylthio)pyridine-3-boronic acid pinacol ester
3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
2-(6-methyl-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-ethylamine
(4-(Diethylcarbamoyl)-2-methoxyphenyl)boronic acid
3-[(tert-butyloxycarbonyl)amino]-4-methylbenzoic acid
2-[5-METHOXY-2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]-ACETONITRILE
ethyl 2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylate
N-(1-(TERT-BUTYL)-1H-PYRAZOL-5-YL)-6-CHLOROPYRAZIN-2-AMINE
6-(hydroxymethyl)-4-(3-methoxypropyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
1-[(5-Nitro-2-pyridinyl)amino]cyclopentanecarboxylic acid
6-Chloro-1H-spiro[piperidine-4,2-quinazolin]-4(3H)-one
diethyl pyrrolidine-2,5-dicarboxylate hydrochloride
[4-[(3-methoxy-3-oxopropyl)carbamoyl]phenyl]boronic acid
(4R,5S)-(2,2-DIMETHYL-5-VINYL-1,3-DIOXOLAN-4-YL)METHAN-1-OL
sodium,formaldehyde,1-methyl-2-(2-methylphenoxy)benzene
1,3-Dimethyl-5-[(1-methyl-2-pyrrolidinylidene)ethylidene]-2-thioxoimidazolidine-4-one
1H-Benz[g]indole-3-carboxaldehyde,2-(1,1-dimethylethyl)-(9CI)
(2-(((TERT-BUTOXYCARBONYL)AMINO)METHYL)PHENYL)BORONIC ACID
Benzyl (3S,4S)-3,4-dihydroxypiperidine-1-carboxylate
Propanoic acid, 2-[2-(4-nitrophenyl)hydrazinylidene]-,ethyl ester
benzyl (3S,4R)-3,4-dihydroxypiperidine-1-carboxylate
tert-butyl 6-fluoro-1-methylpyrazolo[3,4-b]pyridine-3-carboxylate
1-(tert-butoxycarbonyl)-4,4-difluoropyrrolidine-2-carboxylic acid
(3-Fluoro-5-(piperidine-1-carbonyl)phenyl)boronic acid
3-(METHYLTHIO)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE
1H-Indazole-3-carboxamide,N-(3-methylphenyl)-(9CI)
Benzenepropanenitrile, a-ethyl-b-hydroxy-b-phenyl-
4-[(2-methylimidazol-1-yl)methyl]piperidine,dihydrochloride
N-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
6-N-BOC-5,6,7,8-TETRAHYDRO-PYRIDO[4,3-C]PYRIDAZIN-3-OL
tert-butyl 3-(methanesulfonyloxy)azetidine-1-carboxylate
Benzo[b][1,8]naphthyridin-5-amine, 2,4,7,9-tetramethyl- (9CI)
tert-Butyl (2,3-dihydrobenzo[b][1,4]dioxin-6-yl)carbamate
TERT-BUTYL (BENZO[D][1,3]DIOXOL-5-YLMETHYL)CARBAMATE
2-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetic acid
2-FLUORO-4-(PIPERIDINE-1-CARBONYL)PHENYLBORONIC ACID
1-[[(2R,3R)-2-(2,4-Difluorophenyl)-3-methyl-2-oxiranyl]methyl]-1H-1,2,4-triazole
4-((TERT-BUTOXYCARBONYL)(METHYL)AMINO)BENZOIC ACID
4-(3-aminoprop-1-yl)amino-2-methylquinoline hydrochloride
2-[(4-aminophenyl)azo]-1,3-dimethyl-1H-imidazolium chloride
(R)-1-(1,2-DIHYDROACENAPHTHYLEN-1-YL)PIPERIDIN-4-ONE
(2R,3S)-2-(2,4-Difluorophenyl)-3-methyl-[(1H-1,2,4-triazol-1-yl)methyl]oxirane
(2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanol
(2-FORMYL-6-METHOXY-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER
1-(((2S,3R)-2-(2,4-difluorophenyl)-3-Methyloxiran-2-yl)Methyl)-1H-1,2,4-triazole
(2-fluoro-4-((4-oxopiperidin-1-yl)Methyl)phenyl)boronic acid
2-(1,1,3-triMethyl-1H-benzo[e]indol-2(3H)-ylidene)acetaldehyde
METHYL 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLE-1-CARBOXYLATE
(3-((2-Ethoxy-2-oxoethyl)carbamoyl)phenyl)boronic acid
(2-Fluoro-5-(piperidine-1-carbonyl)phenyl)boronic acid
Methyl (S)-3-acetamido-3-(4-methoxyphenyl)propanoate
tert-Butyl (1-(4-fluorophenyl)cyclopropyl)carbamate
(3S,4R)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
(3S,4R)-4-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
(3S,4R)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
(4-((TERT-BUTOXYCARBONYL)(METHYL)AMINO)PHENYL)BORONIC ACID
(R)-(+)-ALPHA-[(3-METHOXY-1-METHYL-3-OXO-1-PROPENYL)AMINO]-1,4-CYCLOHEXADIENE-1-ACETIC ACID, SODIUM SALT
2-Propen-1-one,3-[4-(dimethylamino)phenyl]-1-phenyl-
6-(Cyclohexylmethoxy)-5-nitrosopyrimidine-2,4-diamine
Rimazolium
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic N - Nervous system > N02 - Analgesics
2-(3-Amino-2,5-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-4-yloxy)-propionic acid
Oxetanocin A
A nucleoside analogue found in Bacillus megaterium in which an adenine moiety is attached to position 2 of a of an oxetane ring which is substituted at positions 3 and 4 by hydroxymethyl groups. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents
Tramazoline hydrochloride
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
4-[2-(1-Methyl-1H-benzoimidazol-2-yl)-ethyl]-phenylamine
9H-Purin-6-amine, 9-(3-deoxy-beta-D-threo-pentofuranosyl)-
1(R)-1-Acetamido-2-(3-carboxyphenyl)ethyl boronic acid
2-amino-6-(1-hydroxypropyl)-8-methylpteridine-4,7(1H,8H)-dione
2-[4-(Methylamino)phenyl]quinazolin-4(3H)-one
A natural product found in Streptomyces species.
5-Chloro-1,3-dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one
5-Chloro-1,3-dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one is a metabolite of domperidone. Domperidone (trade names Motilium, Motillium, Motinorm Costi and Nomit) is an antidopaminergic drug, developed by Janssen Pharmaceutica, and used orally, rectally or intravenously, generally to suppress nausea and vomiting, as a prokinetic agent and for promoting lactation. (Wikipedia)
3,N(4)-Ethenodeoxycytidine
(2S)-2-(dihydroxyamino)-9-(methylsulfanyl)nonanoic acid
1-[(2S)-2-amino-4-methylpentanamido]ethenyl(methoxy)phosphinate
(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propan-1-amine
[(2R,3S,4R,5R)-3,4,5,6-Tetrahydroxy-1-oxohexan-2-yl] (2S)-2-aminopropanoate
isatinone A
An indole alkaloid that is 1,3-dihydro-2H-indol-2-one substituted by a methoxy(phenyl)methylidene group at position 3 (the 3E stereoisomer). Isolated from Isatis costata, it exhibits antifungal activity.
3-(2,4-Difluoroanilino)-5,5-dimethyl-1-cyclohex-2-enone
(2,3-Dimethoxyphenyl)-(1-pyrrolidinyl)methanethione
5,7-Dimethyl-2-(1-pyrrolidinyl)-3-quinolinecarbonitrile
3-(3,5-Dimethyl-1-pyrazolyl)-5-phenyl-1,2,4-triazine
Ethyl 2-cyano-3-[(2-oxoazepan-3-yl)amino]prop-2-enoate
(4R)-4,8-dimethylnonyl sulfate
An organosulfate oxoanion that is the conjugate base of (4R)-4,8-dimethylnonyl hydrogen sulfate. It has been isolated from Daphnia pulex and has been found to induce morphological changes in the phytoplankton, Scenedesmus gutwinskii.
(5Z)-1,3-dimethyl-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one
(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
4-Aminobenzoic acid, N-acetyl-, trimethylsilyl ester
3-Aminobenzoic acid, N-acetyl-, trimethylsilyl ester
5-Chloro-1-(4-Piperidyl)-2-Benzimidazolinone
2-amino-6-(1-hydroxypropyl)-8-methylpteridine-4,7(3H,8H)-dione
A member of the class of pteridines that is lpteridine-4,7(3H,8H)-dione carrying additional amino, 1-hydroxypropyl and methyl substituents at positions 2, 6 and 8.
N-demethylmirtazapine
A benzazepine metabolite resulting from demethylation of the antidpressant, mirtazapine.
2-amino-3-O-[(R)-1-carboxyethyl]-2-deoxy-D-glucopyranose
The pyranose form of muramic acid.
(9r)-3,9-dimethyl-4,8,10-triazatetracyclo[8.6.1.0⁵,¹⁷.0¹¹,¹⁶]heptadeca-1(17),2,4,11(16),12,14-hexaene
(2s)-2-{[hydroxy(2-hydroxy-6-methylphenyl)methylidene]amino}-3-methylbutanoic acid
7-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1,3-oxazepine-5,6-diol
(4s)-4-amino-n-[4-(hydroxymethyl)phenyl]-5-oxopentanehydrazonic acid
5,6,7-trimethoxy-2-methyl-3,4-dihydroisoquinolin-1-one
2,3-dihydroxy-n-(2,3,5-trihydroxy-6-methyloxan-4-yl)propanimidic acid
(2z)-n-(2-phenylethyl)non-2-en-6,8-diynimidic acid
3'-deoxyadenosine
{"Ingredient_id": "HBIN008429","Ingredient_name": "3'-deoxyadenosine","Alias": "ZINC4514129; CCG-35517; NCIMech_000240; AC1O8O6H; (2S,3R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol","Ingredient_formula": "C10H13N5O3","Ingredient_Smile": "C1C(OC(C1O)N2C=NC3=C(N=CN=C32)N)CO","Ingredient_weight": "251.24 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT02029","TCMID_id": "24158","TCMSP_id": "NA","TCM_ID_id": "8148","PubChem_id": "6713033","DrugBank_id": "NA"}
