Exact Mass: 251.1422402
Exact Mass Matches: 251.1422402
Found 500 metabolites which its exact mass value is equals to given mass value 251.1422402
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cordycepin
C10H13N5O3 (251.10183480000003)
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
C10H13N5O3 (251.10183480000003)
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
C10H13N5O3 (251.10183480000003)
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].
9H-Purine-9-butanoic acid, 6-amino-alpha-hydroxy-, methyl ester
C10H13N5O3 (251.10183480000003)
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-(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.
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)
[3h]Thienylcyclohexylpiperidine
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D020011 - Protective Agents
2-Methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one
2',3'-Dideoxyguanosine
C10H13N5O3 (251.10183480000003)
Didesmethylsibutramine
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D019440 - Anti-Obesity Agents > D001067 - Appetite Depressants
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
Dihydroalprenolol
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
9H-Purine-9-butanoic acid, 6-amino-alpha-hydroxy-, methyl ester
C10H13N5O3 (251.10183480000003)
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
C16H13NO2 (251.09462380000002)
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
2-(Benzyloxyamino)-4-methylvaleric acid methyl ester
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
3-[methoxy(phenyl)methylidene]-1H-indol-2-one
C16H13NO2 (251.09462380000002)
5-(4-METHOXYPHENYL)-2-PHENYLOXAZOLE
C16H13NO2 (251.09462380000002)
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
(2E,6E,8E)-N-(2-hydroxy-2-methylpropyl)-10-oxo-2,6,8-decatrienamide
3-Methoxy-4-phenyl-1H-quinolin-2-one
C16H13NO2 (251.09462380000002)
4-(6-furan-3-yl-3-methyl-piperidin-2-yl)-2-methyl-butan-1-ol|Dihydronuphamin|Secodihydrocastoramin
5-Hydroxy-1-methyl-2-phenylquinolin-4(1H)-one
C16H13NO2 (251.09462380000002)
N,N-dihydroxypentahomomethionine
An N,N-dihydroxy-alpha-amino acid having a 8-thianonyl substituent at the 2-position.
2-Deoxyadenosine
C10H13N5O3 (251.10183480000003)
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.
Alibendol
C78276 - Agent Affecting Digestive System or Metabolism > C66913 - Cholagogues or Choleretic Agents
N-methyl-2,4-Dihydroxy-3-phenylquinoline
C16H13NO2 (251.09462380000002)
(E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide
5-Deoxyadenosine
C10H13N5O3 (251.10183480000003)
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].
2,6-Di-tert-butyl-4-nitrophenol
CONFIDENCE standard compound; INTERNAL_ID 299; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5562; ORIGINAL_PRECURSOR_SCAN_NO 5560 CONFIDENCE standard compound; INTERNAL_ID 299; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5558; ORIGINAL_PRECURSOR_SCAN_NO 5557 CONFIDENCE standard compound; INTERNAL_ID 299; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5585; ORIGINAL_PRECURSOR_SCAN_NO 5584 CONFIDENCE standard compound; INTERNAL_ID 299; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5579; ORIGINAL_PRECURSOR_SCAN_NO 5576 CONFIDENCE standard compound; INTERNAL_ID 299; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5661; ORIGINAL_PRECURSOR_SCAN_NO 5657 CONFIDENCE standard compound; INTERNAL_ID 299; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5581; ORIGINAL_PRECURSOR_SCAN_NO 5580
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
2-Deoxyadenosine; AIF; CE0; CorrDec
C10H13N5O3 (251.10183480000003)
2-Deoxyadenosine; AIF; CE10; CorrDec
C10H13N5O3 (251.10183480000003)
2-Deoxyadenosine; AIF; CE30; CorrDec
C10H13N5O3 (251.10183480000003)
2-Deoxyadenosine; AIF; CE0; MS2Dec
C10H13N5O3 (251.10183480000003)
2-Deoxyadenosine; AIF; CE10; MS2Dec
C10H13N5O3 (251.10183480000003)
2-Deoxyadenosine; AIF; CE30; MS2Dec
C10H13N5O3 (251.10183480000003)
(E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide_major
(E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide_2.3\\%
(7R,8R,E)-8-methyl-6-((R)-2-methylpent-4-en-1-ylidene)octahydroindolizine-7,8-diol
(5R)-5-methyl-6-((Z)-1,2,3,8a-tetrahydroindolizin-6(5H)-ylidene)hexane-2,3-diol
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
(R)-N-(Methoxymethyl)-1-phenyl-N-((trimethylsilyl)methyl)ethanamine
C14H25NOSi (251.17053199999998)
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
Xibenolol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
6-(cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
Methyl (R)-3-acetamido-3-(4-methoxyphenyl)propanoate
(S)-(-)-N-Methoxymethyl-n-trimethylsilylmethyl-1-phenylethylamine
C14H25NOSi (251.17053199999998)
1,2-bis(ethenyl)benzene,2-methylbuta-1,3-diene,prop-2-enenitrile
1,2-Dihydro-2-(4-methylphenyl)-5-phenyl-3H-1,2,4-triazol-3-one
2-Methyl-2-propanyl 4-(1H-imidazol-4-yl)-1-piperidinecarboxylate
(2R,3R)-3-(3-methoxyphenyl)-N,N,2-trimethyl-pentanamine
ETHYL 3-(4-METHOXY-PHENYL)-2-METHYLAMINOMETHYL-PROPIONATE
3-(((Benzyloxy)carbonyl)amino)-3-methylbutanoic acid
4-[methyl(phenylmethoxycarbonyl)amino]butanoic acid
2-(4-(4-AMINO-3-METHOXYPHENYL)PIPERAZIN-1-YL)ETHANOL
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
C12H18BNO2S (251.11512380000002)
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
tert-butyl 4-(1H-pyrazol-1-yl)piperidine-1-carboxylate
BENZYL (1-AMINO-1-(HYDROXYIMINO)-2-METHYLPROPAN-2-YL)CARBAMATE
(4-(Cyclopentylcarbamoyl)-3-fluorophenyl)boronic acid
C12H15BFNO3 (251.11289620000002)
(3-Fluoro-4-(piperidine-1-carbonyl)phenyl)boronic acid
C12H15BFNO3 (251.11289620000002)
ETHYL 4-HYDROXY-2-(PIPERIDIN-1-YL)PYRIMIDINE-5-CARBOXYLATE
Ethanethione,2-(4-methoxyphenyl)-1-(4-morpholinyl)-
C13H17NO2S (251.09799420000002)
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
TERT-BUTYL [(1S)-1-(4-METHOXYPHENYL)ETHYL]CARBAMATE
1-Piperidinecarboxylic acid, 4-(1H-pyrazol-3-yl)-, 1,1-dimethylethyl ester
tert-butyl [(1s)-1-(3-methoxyphenyl)ethyl]carbamate
4-FLUORO-3-(PIPERIDIN-1-YLCARBONYL)BENZENEBORONIC ACID
C12H15BFNO3 (251.11289620000002)
1-Isocyanopentyl 4-methylphenyl sulfone
C13H17NO2S (251.09799420000002)
2-((tert-Butoxycarbonyl)(methyl)amino)benzoic 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)-
C10H13N5O3 (251.10183480000003)
6-(Methylthio)pyridine-3-boronic acid pinacol ester
C12H18BNO2S (251.11512380000002)
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
tert-Butyl 7,7-dimethyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate
ethyl 2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylate
6-(hydroxymethyl)-4-(3-methoxypropyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
Mebeverine metabolite O-desmethyl Mebeverine alcohol
3-amino-3-[4-(3-methylbutoxy)phenyl]propanoic acid
[4-[(3-methoxy-3-oxopropyl)carbamoyl]phenyl]boronic acid
C11H14BNO5 (251.09649840000003)
3-((CYCLOHEXYL(METHYL)AMINO)METHYL)-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
5-((CYCLOHEXYL(METHYL)AMINO)METHYL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC 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
tert-butyl 4-(1H-imidazol-2-yl)piperidine-1-carboxylate
tert-Butyl 4-(1H-imidazol-1-yl)piperidine-1-carboxylate
Benzyl (3S,4S)-3,4-dihydroxypiperidine-1-carboxylate
(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
ETHYL 3-(3-METHOXY-PHENYL)-2-METHYLAMINOMETHYL-PROPIONATE
benzyl (3S,4R)-3,4-dihydroxypiperidine-1-carboxylate
tert-butyl 6-fluoro-1-methylpyrazolo[3,4-b]pyridine-3-carboxylate
1-Isocyano-3-methylbutyl 4-methylphenyl sulfone
C13H17NO2S (251.09799420000002)
1-(tert-butoxycarbonyl)-4,4-difluoropyrrolidine-2-carboxylic acid
tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]-N-methylcarbamate
n-Octyltrimethylammonium bromide
C11H26BrN (251.12484959999998)
(3-Fluoro-5-(piperidine-1-carbonyl)phenyl)boronic acid
C12H15BFNO3 (251.11289620000002)
1H-1,2,4-Triazole-3-carboxamide,N-(2,2,6,6-tetramethyl-4-piperidinyl)-(9CI)
C12H21N5O (251.17460160000002)
3-(METHYLTHIO)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE
C12H18BNO2S (251.11512380000002)
1H-Indazole-3-carboxamide,N-(3-methylphenyl)-(9CI)
tert-butyl 3-(1H-pyrazol-5-yl)piperidine-1-carboxylate
Styrene, divinylbenzene polymer, sulfonated, ammonium salt
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
(2R,3S)-1-(DIMETHYLAMINO)-3-(3-METHOXYPHENYL)-2-METHYLPENTAN-3-OL
6-N-BOC-5,6,7,8-TETRAHYDRO-PYRIDO[4,3-C]PYRIDAZIN-3-OL
Benzo[b][1,8]naphthyridin-5-amine, 2,4,7,9-tetramethyl- (9CI)
1-(4-(ALLYLOXY)-3,5-DIMETHOXYPHENYL)PROPAN-2-AMINE
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
C12H15BFNO3 (251.11289620000002)
2-(2-butyl-4-hydroxy-6-methylpyrimidin-5-yl)-N,N-dimethylacetamide
4-((TERT-BUTOXYCARBONYL)(METHYL)AMINO)BENZOIC ACID
4-(3-aminoprop-1-yl)amino-2-methylquinoline hydrochloride
(R)-1-(1,2-DIHYDROACENAPHTHYLEN-1-YL)PIPERIDIN-4-ONE
(2-FORMYL-6-METHOXY-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER
(2R,3R)-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methyl-3-pentanol
(2-fluoro-4-((4-oxopiperidin-1-yl)Methyl)phenyl)boronic acid
C12H15BFNO3 (251.11289620000002)
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
C11H14BNO5 (251.09649840000003)
(2-Fluoro-5-(piperidine-1-carbonyl)phenyl)boronic acid
C12H15BFNO3 (251.11289620000002)
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE-1-ACETAMIDE
1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydropyridin-1(2H)-yl)ethanone
Methyl (S)-3-acetamido-3-(4-methoxyphenyl)propanoate
N-(ethoxymethyl)-N-(2-ethyl-6-methyl-phenyl)-2-hydroxy-acetamide
tert-Butyl (1-(4-fluorophenyl)cyclopropyl)carbamate
C14H18FNO2 (251.13215000000002)
Methyl 3-amino-4-(4-methoxyphenyl)-2,2-dimethylbutanoate
(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
Lubazodone
C14H18FNO2 (251.13215000000002)
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
2-(3-Amino-2,5-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-4-yloxy)-propionic acid
Procainamide 4-hydroxylamine
A benzamide obtained via formal condensation of 4-hydroxylaminobenzoic acid and 2-(diethylamino)ethylamine; a metabolite in liver microsomes.
Oxetanocin A
C10H13N5O3 (251.10183480000003)
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)-
C10H13N5O3 (251.10183480000003)
Hippuric acid, trimethylsilyl ester
C12H17NO3Si (251.09776520000003)
1(R)-1-Acetamido-2-(3-carboxyphenyl)ethyl boronic acid
C11H14BNO5 (251.09649840000003)
2-amino-6-(1-hydroxypropyl)-8-methylpteridine-4,7(1H,8H)-dione
C10H13N5O3 (251.10183480000003)
1-(2,3-dihydro-1H-pyrrol-1-yl)-2-methyldecane-1,3-dione
A member of the class of pyrroles that is 2,3-dihydro-1H-pyrrole substituted by a 2-methyl-3-oxodecanoyl group at the nitrogen atom. Isolated from Penicillium citrinum and Penicillium brevicompactum, it exhibits antifungal activity.
2-[4-(Methylamino)phenyl]quinazolin-4(3H)-one
A natural product found in Streptomyces species.
(2E,6E,10R)-10,11-epoxy-3,7,11-trimethyl-2,6-dodecadienoate
(4R)-4-[(2R)-6-methyl-4-oxoheptan-2-yl]cyclohexene-1-carboxylate
(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
3-(2,4-Difluoroanilino)-5,5-dimethyl-1-cyclohex-2-enone
C14H15F2NO (251.11216439999998)
(2,3-Dimethoxyphenyl)-(1-pyrrolidinyl)methanethione
C13H17NO2S (251.09799420000002)
N-(2-methoxyethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
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
C11H23O4S- (251.13169779999998)
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.
N-[2-(2-ethoxyphenoxy)ethyl]-N-methyl-1-butanamine
(9-Methyldecyl)sulfamic acid
A member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a (9-methyldecyl) group.
Pavettamine
An aminoalcohol that is N(1)-(5-aminopentyl)pentane-1,5-diamine substituted by hydroxy groups at positions 2, 2, 4 and 4 (the 2R,4S,2R,4S-stereoisomer). It is a toxin produced by several plant species and the casual agent of gousiekte (quick disease).
(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
C10H13N5O3 (251.10183480000003)
4-Aminobenzoic acid, N-acetyl-, trimethylsilyl ester
C12H17NO3Si (251.09776520000003)
Cyclohexylsulfamic acid, trimethylsilyl ester
C9H21NO3SSi (251.10113560000002)
Anthranilic acid, N-acetyl-, trimethylsilyl ester
C12H17NO3Si (251.09776520000003)
3-Aminobenzoic acid, N-acetyl-, trimethylsilyl ester
C12H17NO3Si (251.09776520000003)
2-(N-Ethyl-m-toluidino)ethanol, TMS derivative
C14H25NOSi (251.17053199999998)
1-Acetyl-4-amino-5-ethyl-2,5-dihydro-1H-pyrrole-3-carbonitrile, TMS derivative
juvenile hormone III carboxylate
A polyunsaturated fatty acid anion obtained by deprotonation of the carboxy group of juvenile hormone III acid; major species at pH 7.3.
2-amino-6-(1-hydroxypropyl)-8-methylpteridine-4,7(3H,8H)-dione
C10H13N5O3 (251.10183480000003)
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
(2s,3r)-3-hydroxybutan-2-yl 5-butylpyridine-2-carboxylate
(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
C10H13N5O3 (251.10183480000003)
{"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"}
1-[2,4-dihydroxy-5-(propan-2-ylidene)pyrrol-3-yl]-5-hydroxyhex-2-en-1-one
(5z)-3-(2-chloroethyl)-5-[(1s)-cyclohex-2-en-1-ylmethylidene]-4-methylpyrrol-2-ol
3,9-dimethyl-4,8,10-triazatetracyclo[8.6.1.0⁵,¹⁷.0¹¹,¹⁶]heptadeca-1(17),2,4,11(16),12,14-hexaene
(2e)-3-phenyl-n-(2-phenylethyl)prop-2-enimidic acid
(2s,3s)-3-hydroxy-3-methyl-2-pentyl-2h-pyrano[2,3-c]pyrrole-4,5-dione
(2r,3s,5s)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
C10H13N5O3 (251.10183480000003)
2-(7-methylocta-3,5-dien-2-yl)-1,3-thiazole-4-carboxylic acid
C13H17NO2S (251.09799420000002)