Exact Mass: 321.08421960000004
Exact Mass Matches: 321.08421960000004
Found 364 metabolites which its exact mass value is equals to given mass value 321.08421960000004,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
S-Methyl GSH
S-Methylglutathione is an S-substitued?glutathione and a stronger nucleophile than GSH[1]. S-Methylglutathione has inhibitory effect on glyoxalase 1[2].
L-L-Homoglutathione
L-l-homoglutathione is a member of the class of compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. L-l-homoglutathione is practically insoluble (in water) and a moderately acidic compound (based on its pKa). L-l-homoglutathione can be found in pulses, which makes L-l-homoglutathione a potential biomarker for the consumption of this food product. L-L-Homoglutathione is found in pulses. L-L-Homoglutathione occurs in seeds of various legume
2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1',2',3'-trihydroxypropyl)-5,6,7,8-tetrahydroxypterin
2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)-5,6,7,8-tetrahydroxypterin is a pterin derivative. Pterin is a heterocyclic compound composed of a pyrazine ring and a pyrimidine ring with Several tautomers; the pyrimidine ring has a carbonyl oxygen and an amino group. As a group, pterins are compounds that are derivatives of 2-amino-4-oxopteridine, with additional functional groups attached to the pyrazine ring. Pterins were first discovered in the pigments of butterfly wings and perform many roles in coloration in the biological world. Pterins also function as cofactors in enzyme catalysis (Wikipedia). Some pterin derivatives (biopterin, 6-formylpterin, 6-carboxypterin) accumulate in the skin of patients affected by vitiligo, a depigmentation disorder, where the protection against UV radiation fails due to the lack of melanin. Pterins participate in biologically important photosensitization processes; for example, pterins act as sensitizers in photochemical reactions that induce DNA damage4,5 and are able to generate singlet molecular oxygen6 and other reactive oxygen species (PMID: 19199487). 2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)-5,6,7,8-tetrahydroxypterin is a pterin derivative. Pterin is a heterocyclic compound composed of a pyrazine ring and a pyrimidine ring with Several tautomers; the pyrimidine ring has a carbonyl oxygen and an amino group. As a group, pterins are compounds that are derivatives of 2-amino-4-oxopteridine, with additional functional groups attached to the pyrazine ring. Pterins were first discovered in the pigments of butterfly wings and perform many roles in coloration in the biological world. Pterins also function as cofactors in enzyme catalysis .
Beta-Citryl-L-glutamic acid
beta-Citryl-L-glutamic acid (beta-CG) is a derivative of glutamic acid. beta-CG which is known to occur in the brain, have been isolated from human urine. [HMDB] beta-Citryl-L-glutamic acid (beta-CG) is a derivative of glutamic acid. beta-CG which is known to occur in the brain, have been isolated from human urine.
7-Demethylmitomycin B; 6-Demethylmitomycin B
Clopidogrel
Clopidogrel is a potent oral antiplatelet agent often used in the treatment of coronary artery disease, peripheral vascular disease, and cerebrovascular disease. It is marketed by Bristol-Myers Squibb and Sanofi-Aventis under the trade name Plavix. -- Wikipedia; Clopidogrel is a potent oral antiplatelet agent often used in the treatment of coronary artery disease, peripheral vascular disease, and cerebrovascular disease. It is marketed by Bristol-Myers Squibb and Sanofi-Aventis under the trade name Plavix. It is also marketed in the generic form by Apotex, a large Canadian generic pharmaceutical company, though an injunction to withhold further shipments of their form is in effect while patent issues are dealt with. In 2005 it was the worlds second highest selling pharmaceutical with sales of US$5.9 billion. [HMDB] Clopidogrel is a potent oral antiplatelet agent often used in the treatment of coronary artery disease, peripheral vascular disease, and cerebrovascular disease. It is marketed by Bristol-Myers Squibb and Sanofi-Aventis under the trade name Plavix. -- Wikipedia; Clopidogrel is a potent oral antiplatelet agent often used in the treatment of coronary artery disease, peripheral vascular disease, and cerebrovascular disease. It is marketed by Bristol-Myers Squibb and Sanofi-Aventis under the trade name Plavix. It is also marketed in the generic form by Apotex, a large Canadian generic pharmaceutical company, though an injunction to withhold further shipments of their form is in effect while patent issues are dealt with. In 2005 it was the worlds second highest selling pharmaceutical with sales of US$5.9 billion. B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AC - Platelet aggregation inhibitors excl. heparin C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent > C190801 - P2Y12 Inhibitor D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Clopidogrel is an orally active platelet inhibitor that targets P2Y12 receptor. Clopidogrel is used to inhibit blood clots in coronary artery disease, peripheral vascular disease, and cerebrovascular disease.
Cepharadione B
C19H15NO4 (321.10010300000005)
Cepharadione B is found in herbs and spices. Cepharadione B is an alkaloid from the woody roots of Piper auritum (Veracruz pepper
S-Glutaryldihydrolipoamide
S-Glutaryldihydrolipoamide is involved in the lysine degradation pathway. S-Glutaryldihydrolipoamide can be irreversibly created from 2-Oxoadipate by 2-oxoglutarate dehydrogenase E1 component [EC:1.2.4.2]. S-Glutaryldihydrolipoamide can be reversibly created from Glutaryl-CoA by 2-oxoglutarate dehydrogenase E2 component (dihydrolipoamide. succinyltransferase) [EC:2.3.1.61]. S-Glutaryldihydrolipoamide is involved in the lysine degradation pathway. S-Glutaryldihydrolipoamide can be irreversibly created from 2-Oxoadipate by 2-oxoglutarate dehydrogenase E1 component [EC:1.2.4.2]. S-Glutaryldihydrolipoamide can be reversibly created from Glutaryl-CoA by 2-oxoglutarate dehydrogenase E2 component (dihydrolipoamide
Niazirinin
Niazirinin is a nitrile glycoside that has been isolated from the leaves of Moringa oleifera (horseradish tree). Niazirin is found in brassicas. Constituent of the leaves of the horseradish tree (Moringa oleifera, Moringaceae). Niazirinin is found in brassicas.
Equol 4'-sulfate
C15H13O6S (321.04328180000005)
(2R,3R,4E)-2,3-Dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine
C13H23NO6S (321.12460180000005)
(2R,3R,4E)-2,3-dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine is an acylcarnitine. More specifically, it is an (2R,3R,4E)-2,3-dihydroxy-5-(methylsulfanyl)pent-4-enoic 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. (2R,3R,4E)-2,3-dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2R,3R,4E)-2,3-dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). 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].
2-Amino-5-((1-((carboxymethyl)amino)-3-(methylthio)-1-oxopropan-2-yl)amino)-5-oxopentanoic acid
4-Chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9A-triaza-benzo[CD]azulene-1-thione
C16H20ClN3S (321.10663900000003)
Calcein Blue
C15H15NO7 (321.08484799999997)
Carboquone
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AC - Ethylene imines C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
Diclofensine
C17H17Cl2NO (321.06871320000005)
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
Vipadenant
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent C308 - Immunotherapeutic Agent > C2139 - Immunostimulant Vipadenant (BIIB-014; CEB-4520) is an adenosine receptor antagonist, with Kis of 1.3 nM and 68 nM for A2A and A1, respectively.
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester
indole-3-acetyl-phenylalanine
C19H17N2O3 (321.12391120000007)
Indole-3-acetyl-phenylalanine is also known as iaa-phe. Indole-3-acetyl-phenylalanine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-phenylalanine can be found in a number of food items such as blackcurrant, apricot, common grape, and roselle, which makes indole-3-acetyl-phenylalanine a potential biomarker for the consumption of these food products.
Menisporphine
C19H15NO4 (321.10010300000005)
Menisporphine is a natural product found in Menispermum dauricum with data available.
S-Methylglutathione
S-Methylglutathione is an S-substitued?glutathione and a stronger nucleophile than GSH[1]. S-Methylglutathione has inhibitory effect on glyoxalase 1[2].
dimethenamide ESA
An organosulfonic acid that is 2-oxoethanesulfonic acid substituted by a (2,4-dimethylthiophen-3-yl)(1-methoxypropan-2-yl)amino group at position 2. CONFIDENCE standard compound; EAWAG_UCHEM_ID 260 CONFIDENCE standard compound; INTERNAL_ID 2041
Diclofensine
C17H17Cl2NO (321.06871320000005)
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
Dehydrohistidyl-tryptophanyl-diketopiperazine
CONFIDENCE Penicillium bissettii
6-Hydroxyquinoline glucuronide|O1-[6]Chinolyl-beta-D-glucopyranuronsaeure|O1-[6]quinolyl-beta-D-glucopyranuronic acid
C15H15NO7 (321.08484799999997)
O1-[7]Chinolyl-beta-D-glucopyranuronsaeure|O1-[7]quinolyl-beta-D-glucopyranuronic acid
C15H15NO7 (321.08484799999997)
7-methyl-6,7-dihydro-5H-bis([1,3]dioxolo[4,5:4,5]benzo)[1,2,3-de;1,2-g]quinoline|Aporphin|Dehydroneolitsine
C19H15NO4 (321.10010300000005)
3,4,5-trihydroxy-6-quinolin-8-yloxyoxane-2-carboxylic acid
C15H15NO7 (321.08484799999997)
(E)-L-alpha-glutamyl-N-[2-(4-hydroxyphenyl)ethenyl]glycinamide|(S)-(E)-form-Glutamylglycyl-4-hydroxystyrylamine|L-Glu-Gly-4-hydroxystyrylamine
O1-[5]Chinolyl-beta-D-glucopyranuronsaeure|O1-[5]quinolyl-beta-D-glucopyranuronic acid
C15H15NO7 (321.08484799999997)
O1-[3]Chinolyl-beta-D-glucopyranuronsaeure|O1-[3]quinolyl-beta-D-glucopyranuronic acid
C15H15NO7 (321.08484799999997)
7-oxohernangerine
An oxoaporphine alkaloid that is 7H-dibenzo[de,g]quinolin-7-one substituted by a methylenedioxy group across positions 1 and 2, a methoxy group at position 11 and a hydroxy group at position 10. Isolated from Hernandia nymphaeifolia and Lindera chunii, it exhibits activity against HIV-1 integrase.
NSC 663284
C15H16ClN3O3 (321.08801359999995)
Clopidogrel
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AC - Platelet aggregation inhibitors excl. heparin C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent > C190801 - P2Y12 Inhibitor D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS INTERNAL_ID 2284; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 2284 CONFIDENCE standard compound; INTERNAL_ID 8531 Clopidogrel is an orally active platelet inhibitor that targets P2Y12 receptor. Clopidogrel is used to inhibit blood clots in coronary artery disease, peripheral vascular disease, and cerebrovascular disease.
1H-1,2,4-Triazole-1-propanoic acid, 4,5-dihydro-3-(1-hydroxyethyl)-5-oxo-4-(2-phenoxyethyl)-
L-L-Homoglutathione
Cepharadione B
C19H15NO4 (321.10010300000005)
2-amino-3-nitro-6-phenyl-4-thiophen-2-ylbenzonitrile
4-[(4-Amino-5-methoxy-2-methylphenyl)azo]benzenesulfonic acid
Methyl 2-(2-chlorophenyl)-2-(4,5-dihydrothieno[2,3-c]pyridin-6(7H)-yl)acetate
diethyl 5-chloro-8-methylquinoline-2,3-dicarboxylate
diethyl 6-chloro-8-methylquinoline-2,3-dicarboxylate
Methyl 3-(2,6-difluorophenylcarbamoyl)-4-Methoxybenzoate
C16H13F2NO4 (321.08126020000003)
Cinnamyl-3,4-dihydroxy-α-cyanocinnamate
C19H15NO4 (321.10010300000005)
Cinnamyl-3,4-dihydroxy-α-cyanocinnamate (CDC) is a potent 12/15-Lipoxygenases (LO) inhibitor. Cinnamyl-3,4-dihydroxy-α-cyanocinnamate has the potential for the research of type 1 diabetes mellitus[1].
DIMETHYL 2-(2-NITRO-4-(TRIFLUOROMETHYL)PHENYL)MALONATE
[3-(1,3-benzoxazol-2-yl)-2-oxochromen-7-yl] acetate
N-BOC-BETA-ALANINE-BETA-4-METHOXYPHENYL-N-CARBOXYANHYDRIDE
DIETHYL 6-ACETYL-5,6-DIHYDROPYRIDO[3,4-B]PYRAZINE-7,7(8H)-DICARBOXYLATE
tert-butyl 3-(5-bromopentoxy)azetidine-1-carboxylate
C13H24BrNO3 (321.09394540000005)
2-Bromo-1-(2-methylaminopropyl)adamantane hydrochloride
C14H25BrClN (321.08587800000004)
3-Bromo-1-(2-methylaminopropyl)adamantane hydrochloride
C14H25BrClN (321.08587800000004)
hydromorphone hydrochloride
C17H20ClNO3 (321.1131640000001)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
4-chloro-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline
Fengabine
C17H17Cl2NO (321.06871320000005)
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
(dimethyl)[10H-pyrido[3,2-b][1,4]benzothiazine-10-propyl]ammonium chloride
C16H20ClN3S (321.10663900000003)
2-((2-(TRIFLUOROMETHYL)BENZYL)OXY)ISOINDOLINE-1,3-DIONE
C16H10F3NO3 (321.06127460000005)
(4-(N-(4-METHOXYBENZYL)SULFAMOYL)PHENYL)BORONIC ACID
C14H16BNO5S (321.08421960000004)
4-Imidazolidinone,5-(1H-indol-3-ylmethyl)-3-phenyl-2-thioxo-
C18H15N3OS (321.09357800000004)
2-chloro-7-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)quinoline
(E)-1-(3-(2-(7-CHLOROQUINOLIN-2-YL)VINYL)PHENYL)PROP-2-EN-1-OL
C20H16ClNO (321.09203560000003)
Benzeneethanol,4-nitro-, 1-(4-methylbenzenesulfonate)
Methyl 4-(4-fluorophenyl)-2-(cyclopropyl)-3-quinolinecarboxylate
(3-(N-(4-METHOXYBENZYL)SULFAMOYL)PHENYL)BORONIC ACID
C14H16BNO5S (321.08421960000004)
1-[ISOCYANO-(TOLUENE-4-SULFONYL)-METHYL]-NAPHTHALENE
C19H15NO2S (321.08234500000003)
Benzoic acid,5-[2-[4-(aminosulfonyl)phenyl]diazenyl]-2-hydroxy-
C13H11N3O5S (321.04193960000003)
2-chloro-8-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)quinoline
Phenyl[2-phenylthio)phenyl]carbamate
C19H15NO2S (321.08234500000003)
N-[(DIPHENYLPHOSPHINYL)METHYL]-N-METHYLANILINE
C20H20NOP (321.12824400000005)
Isocyano(2-naphthyl)methyl 4-methylphenyl sulfone
C19H15NO2S (321.08234500000003)
tert-butyl 2-amino-3-(4-methoxy-3,4-dioxobutanoyl)benzoate
1H-Benzo[a]cyclopenta[f]quinolizinium,2,3,3a,5,6,11,12,12a-octahydro-8-hydroxy-, bromide (1:1)
C16H20BrNO (321.07281700000004)
(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaminium (2R)-hydroxy(phenyl)ethanoate
C17H17F2NO3 (321.11764360000006)
(Z)-1-Phenyl-2-(phthalimidomethyl)cyclopropanecarboxylic acid
C19H15NO4 (321.10010300000005)
N,N-DIMETHYL-N-(1-HEXYL)-N-(2-[METHACRYLOYL]ETHYL)AMMONIUM BROMIDE
C14H28BrNO2 (321.13032880000003)
3-(4-fluorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile
1-Benzyl-3-(2,2,2-trifluoro-acetyl)piperidin-4-one HCl
3-(4-OXO-3,4-DIHYDROPYRIDO[3,2:4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENYL ACETATE
2-(3-Bromo-2-oxopropyl)-3-methoxy-1-piperidinecarboxylic acid ethyl ester
C12H20BrNO4 (321.0575620000001)
4,5-DIMETHOXY-2-(2-THIOPHEN-2-YL-ACETYLAMINO)-BENZOIC ACID
TETRAETHYLAMMONIUM (META)PERIODATE
C8H20INO4 (321.04370300000005)
METHYL 5-AMINO-2-(4-NITRO-1-OXOISOINDOLIN-2-YL)-5-OXOPENTANOATE
ETHYL 8-ALLYL-5-HYDROXY-2-(METHYLTHIO)-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
Isothipendyl hydrochloride
C16H20ClN3S (321.10663900000003)
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
4-Chloro-6-Methoxy-7-(3-pyrrolidin-1-yl-propoxy)-quinazoline
1H-PYRROLO[2,3-B]PYRIDINE-1-SULFONAMIDE, N,N-DIMETHYL-3-(2,2,2-TRIFLUOROACETYL)-
BenzeneMethanol, 3-amino-a-(bromomethyl)-4-(phenylmethoxy)-, (aR)-
Hydrazinecarbothioamide, 2-[(2-hydroxyphenyl)methylene]-N-1-naphthalenyl-
C18H15N3OS (321.09357800000004)
9H-fluoren-9-ylmethyl 2,5-dioxopyrrolidine-1-carboxylate
C19H15NO4 (321.10010300000005)
(R)-5-(Azidomethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxazolidinone
N-cyclopentyl-5-(2,4-dichlorophenyl)-2-methylpyrimidin-4-amine
C16H17Cl2N3 (321.07994620000005)
Naphtho[1,2-d]thiazolium,2-methyl-1-(3-sulfopropyl)-, inner salt
Methyl (2S)-(2-chlorophenyl)(4,7-dihydrothieno[2,3-c]pyridin-6(5H)-yl)acetate
1-Cyclopropyl-7-ethoxy-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
C16H16FNO5 (321.10124579999996)
4-methoxy-3-(3-morpholinopropoxy)-2-nitrobenzonitrile
1-([4-((2S)PYRROLIDIN-2-YL)PHENYL]SULFONYL)-4-CHLOROBENZENE
5-Bromoindole-2-boronic acid, pinacol ester
C14H17BBrNO2 (321.05356320000004)
4-Bromo-1h-indole-2-boronic acid pinacol ester
C14H17BBrNO2 (321.05356320000004)
6-Bromoindole-2-boronic acid pinacol ester
C14H17BBrNO2 (321.05356320000004)
Methyl 2-(Boc-amino)-2-(1,1-dioxo-4-tetrahydrothiopyranyl)acetate
C13H23NO6S (321.12460180000005)
7-chloro-3-(2-methylquinolin-6-yl)quinazolin-4-one
3-(n-benzylsulfamoyl)-4-methoxyphenylboronic acid
C14H16BNO5S (321.08421960000004)
A-BROMO-1-[(1,1-DIMETHYLETHOXY)CARBONYL]-4-PIPERIDINEACETIC ACID
C12H20BrNO4 (321.0575620000001)
Benzenesulfonamide,4-chloro-N-[3-(dimethylamino)propyl]-3-nitro-
2-TERT-BUTOXYCARBONYLAMINO-5-TRIFLUOROMETHOXY-BENZOIC ACID
4-Chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9A-triaza-benzo[CD]azulene-1-thione
C16H20ClN3S (321.10663900000003)
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors
Ampreloxetine
C78272 - Agent Affecting Nervous System Ampreloxetine (TD-9855) is a potent and orally active norepinephrine (NE) and serotonin 5-HT inhibitor. Ampreloxetine has the potential for the research of neurogenic orthostatic hypotension[1][2].
Tivirapine
C16H20ClN3S (321.10663900000003)
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
9-Chloro-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione
C16H20ClN3S (321.10663900000003)
4-Chloro-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile
2-({3-[(4-Methylbenzyl)oxy]-2-thienyl}carbonyl)-1-hydrazinecarbothioamide
Ethyl 4-amino-2-[(3-nitropyridin-2-yl)sulfanyl]pyrimidine-5-carboxylate
C12H11N5O4S (321.05317260000004)
1-[(1,3-Benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide
C15H19N3O3S (321.11470640000005)
(Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-3-methylbutanoic acid
N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide
N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
C15H19N3O3S (321.11470640000005)
1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid
2-[(2-Oxo-2-piperidin-1-ylethyl)thio]-6-(trifluoromethyl)pyrimidin-4(1H)-one
C12H14F3N3O2S (321.07587800000005)
3-({2-[(2-Amino-6-methylpyrimidin-4-YL)ethynyl]benzyl}amino)-1,3-oxazol-2(3H)-one
Vipadenant
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent C308 - Immunotherapeutic Agent > C2139 - Immunostimulant Vipadenant (BIIB-014; CEB-4520) is an adenosine receptor antagonist, with Kis of 1.3 nM and 68 nM for A2A and A1, respectively.
carboquone
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AC - Ethylene imines C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
5-[(2-chlorophenyl)methylsulfanylmethyl]-N-cyclopropylfuran-2-carboxamide
6-Chloro-7-(2-morpholin-4-yl-ethylamino)quinoline-5,8-dione
C15H16ClN3O3 (321.08801359999995)
Equol 4'-sulfate
C15H13O6S- (321.04328180000005)
indole-3-acetyl-phenylalanine
C19H17N2O3- (321.12391120000007)
Indole-3-acetyl-phenylalanine is also known as iaa-phe. Indole-3-acetyl-phenylalanine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-phenylalanine can be found in a number of food items such as blackcurrant, apricot, common grape, and roselle, which makes indole-3-acetyl-phenylalanine a potential biomarker for the consumption of these food products.
Cytidine-monophosphate
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N-[(R)-pantothenoyl]-L-cysteinate
C12H21N2O6S- (321.11202660000004)
Conjugate base of N-[(R)-pantothenoyl]-L-cysteine.
2-O-(4-deoxy-beta-L-threo-hex-4-enopyranuronosyl)-alpha-L-rhamnopyranose(1-)
(indol-3-yl)acetyl-L-phenylalanine
C19H17N2O3- (321.12391120000007)
5-Methyl-9-(3-methylbut-2-enyl)-7-oxophenazine-1-carboxylate
C19H17N2O3- (321.12391120000007)
(1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradecane-5,9,12,13,14-pentol
(2R,3R,4E)-2,3-Dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine
C13H23NO6S (321.12460180000005)
morphine hydrochloride
C17H20ClNO3 (321.1131640000001)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
Thymidine 5-(hydrogen phosphate)
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6,7-dimethoxy-4-(2-oxolanylmethylamino)-1H-quinazoline-2-thione
C15H19N3O3S (321.11470640000005)
3-nitro-N-[(1E)-quinoxalin-6-ylmethylene]benzohydrazide
4-[1-[(3-Methoxyphenyl)methyl]-2-benzimidazolyl]-1,2,5-oxadiazol-3-amine
5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-2-furancarboxamide
N-[4-[(E)-2-[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-2H-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]acetamide
C18H15N3O3 (321.11133600000005)
5-{[5-(diethylamino)-2-furyl]methylene}-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
C15H19N3O3S (321.11470640000005)
N-[(2-ethyl-1-piperidinyl)-sulfanylidenemethyl]-4-nitrobenzamide
C15H19N3O3S (321.11470640000005)
2-{[1-(4-Methoxy-phenyl)-eth-(E)-ylidene]-hydrazono}-4-oxo-[1,3]thiazinane-6-carboxylic acid
4-cyano-N-methyl-N-[5-(2-pyridinyl)-1,3,4-thiadiazol-2-yl]benzamide
3-[[Oxo(2-quinoxalinyl)methyl]amino]benzoic acid ethyl ester
C18H15N3O3 (321.11133600000005)
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4,5-trimethoxybenzamide
2-chloro-N-[5-ethyl-3-[(4-methylphenyl)-oxomethyl]-2-thiophenyl]acetamide
3-Amino-6-cyclopropyl-4-(4-methoxyphenyl)-2-thieno[2,3-b]pyridinecarbonitrile
C18H15N3OS (321.09357800000004)
3-[[5-(4-Ethylanilino)-1,3,4-thiadiazol-2-yl]thio]-2-oxolanone
N-(2-acetylphenyl)-2-(2-oxo-1-quinoxalinyl)acetamide
C18H15N3O3 (321.11133600000005)
2-[(1-Oxido-2-pyridin-1-iumyl)thio]-1-(4-phenylphenyl)ethanone
C19H15NO2S (321.08234500000003)
3,3,3-Trifluoro-2-hydroxy-2-[4-[methoxycarbonyl(methyl)amino]phenyl]propanoic acid methyl ester
N-[3-[oxo-(3-pyridinylmethylamino)methyl]phenyl]-2-furancarboxamide
C18H15N3O3 (321.11133600000005)
N-(1,3-dimethyl-2-oxo-5-benzimidazolyl)-2-benzofurancarboxamide
C18H15N3O3 (321.11133600000005)
(4R,4aR,7aR,12bS)-9-hydroxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydron;chloride
C17H20ClNO3 (321.1131640000001)
4-hydroxy-2-oxo-1-prop-2-enyl-N-(3-pyridinyl)-3-quinolinecarboxamide
C18H15N3O3 (321.11133600000005)
6-(3-furanyl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine
C18H15N3OS (321.09357800000004)
2-(7-chloro-2-methyl-4-thiazolo[5,4-b]indolyl)-N,N-diethylethanamine
C16H20ClN3S (321.10663900000003)
N-[(4S)-4-azaniumyl-4-carboxylatobutanoyl]-S-methyl-L-cysteinylglycine
1-naphthalen-2-yl-2-(7H-purin-1-ium-6-ylsulfanyl)ethanone
N-[[2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]methyl]formamide
C13H15N5O5 (321.10731400000003)
N-[(3R,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]-4-methyl-5-isoquinolinesulfonamide
C15H19N3O3S (321.11470640000005)
2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)-5,6,7,8-tetrahydroxypterin
3-CMP(2-)
A nucleoside 3-phosphate(2-) which results from the removal of two protons from the phosphate group of 3-CMP; major species at pH 7.3.
Methyl 2-(2-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4h)-yl)acetate
cytidine 5-monophosphate(2-)
A pyrimidine nucleoside 5-monophosphate(2-) that results from the removal of two protons from the phosphate group of cytidine 5-monophosphate; major species at pH 7.3.
beta-Citrylglutamic acid
An N-acyl-L-glutamic acid in which the acyl group is specified as beta-citryl.
Asenapine (hydrochloride)
C17H17Cl2NO (321.06871320000005)
Asenapine hydrochloride, an antipsychotic, is a 5-HT (1A, 1B, 2A, 2B, 2C, 5A, 6, 7) and Dopamine (D2, D3, D4) receptor antagonist with Ki values of 0.03-4.0 nM for 5-HT and 1.3, 0.42, 1.1 nM for Dopamine receptor, respectively.
[(8r,9r,10r,12r)-4-formyl-6,9-dihydroxy-14-oxa-1,11-diazatetracyclo[7.4.1.0²,⁷.0¹⁰,¹²]tetradeca-2,4,6-trien-8-yl]methoxycarboximidic acid
5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁶,²⁰]tetracosa-1(24),2,4(8),9,15(23),16(20),21-heptaene
C19H15NO4 (321.10010300000005)
11,12,16-trimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
C19H15NO4 (321.10010300000005)
(4s)-4-amino-4-[({[(1e)-2-(4-hydroxyphenyl)ethenyl]-c-hydroxycarbonimidoyl}methyl)-c-hydroxycarbonimidoyl]butanoic acid
17-methoxy-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-1(21),2,4(8),9,14,17,19-heptaen-16-one
C19H15NO4 (321.10010300000005)
(1s,4s)-4-benzyl-1,3-dihydroxy-1h,4h-pyrazino[2,1-b]quinazolin-6-one
C18H15N3O3 (321.11133600000005)
14,15-dimethoxy-10-methyl-16-oxo-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,8,10,12,14-octaen-10-ium-8-olate
C19H15NO4 (321.10010300000005)
4,5,9,10-tetrahydroxy-11-iminobenzo[b]fluorene-2-carbaldehyde
(2s)-2-amino-4-{[(1r)-1-[(2-carboxyethyl)-c-hydroxycarbonimidoyl]-2-sulfanylethyl]-c-hydroxycarbonimidoyl}butanoic acid
12,15,16-trimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
C19H15NO4 (321.10010300000005)
(3e,6s)-3-(3h-imidazol-4-ylmethylidene)-6-(1h-indol-3-ylmethyl)-6h-pyrazine-2,5-diol
13-methyl-5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.0²,¹⁰.0⁴,⁸.0¹⁶,²³.0¹⁸,²²]tricosa-1(23),2(10),3,8,11,16,18(22)-heptaene
C19H15NO4 (321.10010300000005)
16-methoxy-5,7-dioxa-13λ⁵-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium-17-olate
C19H15NO4 (321.10010300000005)
2-amino-4-({1-[(2-carboxyethyl)-c-hydroxycarbonimidoyl]-2-sulfanylethyl}-c-hydroxycarbonimidoyl)butanoic acid
(11s)-6-chloro-11-methyl-10-(3-methylbut-2-en-1-yl)-1,3,10-triazatricyclo[6.4.1.0⁴,¹³]trideca-2,4,6,8(13)-tetraene-2-thiol
C16H20ClN3S (321.10663900000003)
2-[6-(carboxymethyl)-4-hydroxy-7-oxo-2h,3h,5h-furo[2,3-f]isoindol-2-yl]propanoic acid
C15H15NO7 (321.08484799999997)
(3z)-3-(3h-imidazol-4-ylmethylidene)-6-(1h-indol-3-ylmethyl)-6h-pyrazine-2,5-diol
(2r)-2-[(2s)-6-(carboxymethyl)-4-hydroxy-7-oxo-2h,3h,5h-furo[2,3-f]isoindol-2-yl]propanoic acid
C15H15NO7 (321.08484799999997)
methyl 5-[(1z)-1,3-dimethoxy-3-oxoprop-1-en-1-yl]-4-methoxyfuro[2,3-b]pyridine-6-carboxylate
C15H15NO7 (321.08484799999997)
(3s,4r)-4-(5,7-dihydroxy-2-methyl-4-oxochromen-8-yl)-3-hydroxy-1-methylpiperidin-1-ium-1-olate
20-methoxy-2,6,8-trioxa-14-azapentacyclo[11.7.1.0³,¹¹.0⁵,⁹.0¹⁷,²¹]henicosa-1(20),3,5(9),10,13(21),14,16,18-octaen-12-one
(4r)-4-hydroxy-4-(2-hydroxy-4,7,8-trimethoxyquinolin-3-yl)butan-2-one
6-chloro-3-methoxy-2-methyl-1-phenyl-9h-carbazole
C20H16ClNO (321.09203560000003)
15,16-dimethoxy-8-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-11,12-dione
C19H15NO4 (321.10010300000005)
15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-11,12-dione
C19H15NO4 (321.10010300000005)
15-hydroxy-16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one
5,10,11-trimethoxy-16-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one
C19H15NO4 (321.10010300000005)
18-hydroxy-16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one
4,5,15-trimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-one
C19H15NO4 (321.10010300000005)
methyl 5-(1,3-dimethoxy-3-oxoprop-1-en-1-yl)-4-methoxyfuro[2,3-b]pyridine-6-carboxylate
C15H15NO7 (321.08484799999997)
16-methoxy-6,8-dioxa-1-azapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-2,4,9,11,13,15,18-heptaen-17-one
C19H15NO4 (321.10010300000005)
[(8r,9r,10s)-4-formyl-6,9-dihydroxy-14-oxa-1,11-diazatetracyclo[7.4.1.0²,⁷.0¹⁰,¹²]tetradeca-2,4,6-trien-8-yl]methoxycarboximidic acid
5-hydroxy-3-(1h-imidazol-4-ylmethylidene)-6-(1h-indol-3-ylmethyl)-1,6-dihydropyrazin-2-one
11-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,12,14(19),15,17-heptaene-9,10-dione
13-methyl-5,7,19,21-tetraoxa-14-azahexacyclo[10.10.1.0²,¹⁰.0⁴,⁸.0¹⁶,²³.0¹⁸,²²]tricosa-1(23),2(10),3,8,11,16,18(22)-heptaene
C19H15NO4 (321.10010300000005)
4-benzyl-1,3-dihydroxy-1h,4h-pyrazino[2,1-b]quinazolin-6-one
C18H15N3O3 (321.11133600000005)
4-amino-4-[({[2-(4-hydroxyphenyl)ethenyl]-c-hydroxycarbonimidoyl}methyl)-c-hydroxycarbonimidoyl]butanoic acid
17-hydroxy-18-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8,10,12(20),14(19),15,17-octaen-13-one
(2s)-2-[(2r)-6-(carboxymethyl)-4-hydroxy-7-oxo-2h,3h,5h-furo[2,3-f]isoindol-2-yl]propanoic acid
C15H15NO7 (321.08484799999997)
[(8r,9s,10s,12s)-4-formyl-6,9-dihydroxy-14-oxa-1,11-diazatetracyclo[7.4.1.0²,⁷.0¹⁰,¹²]tetradeca-2,4,6-trien-8-yl]methoxycarboximidic acid
n-{[(2e,4ar,6s,8ar)-6-chloro-5,5,8a-trimethyl-hexahydro-1h-naphthalen-2-ylidene]methyl}-1-chloromethanecarbonimidoyl chloride
C15H22Cl3N (321.08177420000004)
methyl 5-[(1e)-1,3-dimethoxy-3-oxoprop-1-en-1-yl]-4-methoxyfuro[2,3-b]pyridine-6-carboxylate
C15H15NO7 (321.08484799999997)
16-methoxy-5,7-dioxa-1-azapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-2,4(8),9,11,13,15,18-heptaen-17-one
C19H15NO4 (321.10010300000005)