Exact Mass: 321.10010300000005

Exact Mass Matches: 321.10010300000005

Found 407 metabolites which its exact mass value is equals to given mass value 321.10010300000005, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

S-Methyl GSH

2-Amino-5-((1-((carboxymethyl)amino)-3-(methylthio)-1-oxopropan-2-yl)amino)-5-oxopentanoic acid

C11H19N3O6S (321.0994514)

S-Methylglutathione is an S-substitued?glutathione and a stronger nucleophile than GSH[1]. S-Methylglutathione has inhibitory effect on glyoxalase 1[2].

Deoxy-5-methylcytidylate

2-Deoxy-5-methylcytidine-5-monophosphate disodium salt

C10H16N3O7P (321.0725836)

L-L-Homoglutathione

2-amino-4-[(Z)-{1-[(Z)-(2-carboxyethyl)-C-hydroxycarbonimidoyl]-2-sulfanylethyl}-C-hydroxycarbonimidoyl]butanoic acid

C11H19N3O6S (321.0994514)

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-3,4,5,6,7,8-hexahydro-6-(erythro-1,2,3-trihydroxypropyl)-5,6,7,8-tetrahydroxypteridine

C9H15N5O8 (321.092059)

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 .

Acronine

7H-Pyrano[2,3-c]acridin-7-one,3,12-dihydro-6-methoxy-3,3,12-trimethyl-

C20H19NO3 (321.1364864000001)

C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product An alkaloid antineoplastic agent isolated from Acronychia baueri. D000970 - Antineoplastic Agents C1907 - Drug, Natural Product Same as: D02378

Salbostatin

CHEMBL145196

C13H23NO8 (321.1423598)

Flamprop-M

C16H13ClFNO3 (321.0567950000001)

Beta-Citryl-L-glutamic acid

2-{[3-carboxy-2-(carboxymethyl)-1,2-dihydroxypropylidene]amino}pentanedioate

C11H15NO10 (321.069593)

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

[(4S,6S,7R,8R)-7,13-dihydroxy-12-methyl-10,11-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),12-dien-8-yl]methyl carbamate

C14H15N3O6 (321.096081)

Pyriproxyfen

4-Phenoxyphenyl (RS)-2-(2-pyridyloxy)propyl ether

C20H19NO3 (321.1364864000001)

CONFIDENCE standard compound; INTERNAL_ID 235; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10357; ORIGINAL_PRECURSOR_SCAN_NO 10352 CONFIDENCE standard compound; INTERNAL_ID 235; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10314; ORIGINAL_PRECURSOR_SCAN_NO 10312 CONFIDENCE standard compound; INTERNAL_ID 235; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10325; ORIGINAL_PRECURSOR_SCAN_NO 10324 CONFIDENCE standard compound; INTERNAL_ID 235; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10287; ORIGINAL_PRECURSOR_SCAN_NO 10284 CONFIDENCE standard compound; INTERNAL_ID 235; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10340; ORIGINAL_PRECURSOR_SCAN_NO 10338 CONFIDENCE standard compound; INTERNAL_ID 235; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10362; ORIGINAL_PRECURSOR_SCAN_NO 10360 CONFIDENCE standard compound; INTERNAL_ID 2633 D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals

Dehydrohistidyltryptophyldiketopiperazine

C17H15N5O2 (321.122569)

famciclovir

Famciclovir (Famvir)

C14H19N5O4 (321.1436974)

2-Amino-9H-purine in which the hydrogen at position 9 is substituted by a 4-acetoxy-3-(acetoxymethyl)but-1-yl group. A prodrug of the antiviral penciclovir, it is used for the treatment of acute herpes zoster (shingles), for the treatment or suppression of recurrent genital herpes in immunocompetent patients and for the treatment of recurrent mucocutaneous herpes simplex infections in HIV infected patients. J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AB - Nucleosides and nucleotides excl. reverse transcriptase inhibitors S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AD - Antivirals D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent Famciclovir (BRL 42810) is an orally active nucleoside analogue. Famciclovir is an antiviral agent with potent activities against HBV, HSV and VZV. Famciclovir can be used for the research of herpesvirus infection[1].

Clopidogrel

methyl (2S)-2-(2-chlorophenyl)-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}acetate

C16H16ClNO2S (321.0590226)

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.

Famciclovir

2-(2-(2-Amino-9H-purin-9-yl)ethyl)-1,3-propanediol diacetic acid

C14H19N5O4 (321.1436974)

Famciclovir is a guanine analogue antiviral drug used for the treatment of various herpes virus infections, most commonly for herpes zoster (shingles). It is a prodrug form of penciclovir with improved oral bioavailability. Famciclovir is marketed under the trade name Famvir (Novartis). J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AB - Nucleosides and nucleotides excl. reverse transcriptase inhibitors S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AD - Antivirals D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent Famciclovir (BRL 42810) is an orally active nucleoside analogue. Famciclovir is an antiviral agent with potent activities against HBV, HSV and VZV. Famciclovir can be used for the research of herpesvirus infection[1].

2-[4-(3,4-Methylenedioxyphenyl)butyl]-4(1H)-quinolinone

2-[4-(2H-1,3-benzodioxol-5-yl)butyl]-1,4-dihydroquinolin-4-one

C20H19NO3 (321.1364864000001)

2-[4-(3,4-Methylenedioxyphenyl)butyl]-4(1H)-quinolinone is found in herbs and spices. 2-[4-(3,4-Methylenedioxyphenyl)butyl]-4(1H)-quinolinone is an alkaloid from Ruta graveolens (rue

Cepharadione B

15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,8,13,15-heptaene-11,12-dione

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

5-[(7-carbamoyl-3-sulfanylheptyl)sulfanyl]-5-oxopentanoic acid

C13H23NO4S2 (321.1068438)

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

(2S,3R,4S,5R,6S)-6-[4-(cyanomethyl)phenoxy]-4,5-dihydroxy-2-methyloxan-3-yl acetate

C16H19NO6 (321.1212314)

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.

(2R,3R,4E)-2,3-Dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine

3-{[2,3-dihydroxy-5-(methylsulfanyl)pent-4-enoyl]oxy}-4-(trimethylazaniumyl)butanoate

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

2-Amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-(methylsulphanyl)ethyl}-C-hydroxycarbonimidoyl)butanoic acid

C11H19N3O6S (321.0994514)

5-Oxozaleplon

N-(3-{3-cyano-5-oxo-4H,5H-pyrazolo[1,5-a]pyrimidin-7-yl}phenyl)-N-ethylacetamide

C17H15N5O2 (321.122569)

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

6-chloro-11-methyl-10-(3-methylbut-2-en-1-yl)-1,3,10-triazatricyclo[6.4.1.0^{4,13}]trideca-4(13),5,7-triene-2-thione

C16H20ClN3S (321.10663900000003)

Clopidogrelum

Methyl 2-(2-chlorophenyl)-2-{4h,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}acetic acid

C16H16ClNO2S (321.0590226)

Calcein Blue

2-[(carboxymethyl)[(7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]amino]acetic acid

C15H15NO7 (321.08484799999997)

Carboquone

{2-[2,5-bis(aziridin-1-yl)-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]-2-methoxyethoxy}carboximidic acid

C15H19N3O5 (321.1324644)

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

4-(3,4-dichlorophenyl)-7-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline

C17H17Cl2NO (321.06871320000005)

C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent

Vipadenant

3-[(4-amino-3-methylphenyl)methyl]-7-(furan-2-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine

C16H15N7O (321.133802)

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

2-Amino-4-({1-[(2-methoxy-2-oxoethyl)-C-hydroxycarbonimidoyl]-2-sulphanylethyl}-C-hydroxycarbonimidoyl)butanoic acid

C11H19N3O6S (321.0994514)

indole-3-acetyl-phenylalanine

N-(1-Carboxy-2-phenylethyl)-2-(1H-indol-3-yl)ethanecarboximidic acid

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

5,10,11-trimethoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one

C19H15NO4 (321.10010300000005)

Menisporphine is a natural product found in Menispermum dauricum with data available.

dimethenamide ESA

C12H19NO5S2 (321.0704604)

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

Pyriproxyfen

Pesticide4_Pyriproxyfen_C20H19NO3_Pyridine, 2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]-

C20H19NO3 (321.1364864000001)

D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals

Maybridge1_001952

C15H15NO7 (321.08484799999997)

Maybridge3_004139

C18H15N3O3 (321.11133600000005)

Diclofensine

C17H17Cl2NO (321.06871320000005)

C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent

HMS2792C16

C13H15N5O3S (321.089556)

Maybridge4_003909

C15H10F3N3O2 (321.0725076)

ZINC105982

C16H19NO2S2 (321.08571539999997)

ZINC4364814

C16H19NO2S2 (321.08571539999997)

UNII-P8BP3X5EBR

C17H20ClNO3 (321.1131640000001)

Maybridge3_003773

C17H23NO3S (321.1398568)

ST51035903

C18H15N3O3 (321.11133600000005)

2-[4-(Diethylamino)styryl]-5-nitrobenzonitrile

C19H19N3O2 (321.14771939999997)

N-Benzyl-N-(2-cyanoethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)urea

C19H19N3O2 (321.14771939999997)

MCULE-3051579035

C17H15N5O2 (321.122569)

MMV688554

C15H19N3O3S (321.11470640000005)

MMV652003

C15H11BF3NO3 (321.0784042)

4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]morpholine

C19H19N3O2 (321.14771939999997)

GNF-Pf-4371

C16H16ClNO2S (321.0590226)

Dehydrohistidyl-tryptophanyl-diketopiperazine

C17H15N5O2 (321.122569)

CONFIDENCE Penicillium bissettii

N-Fructosyl alliin - H2O

Isoacronycine

C20H19NO3 (321.1364864000001)

O1-[5]Chinolyl-beta-D-glucopyranuronsaeure|O1-[5]quinolyl-beta-D-glucopyranuronic acid

C15H15NO7 (321.08484799999997)

brevianamide M

C18H15N3O3 (321.11133600000005)

pyridinopyrone A

C20H19NO3 (321.1364864000001)

A natural product found in Streptomyces species.

Nor-orixine

C16H19NO6 (321.1212314)

UNII-793JX7VC6J

C19H15NO4 (321.10010300000005)

O1-[3]Chinolyl-beta-D-glucopyranuronsaeure|O1-[3]quinolyl-beta-D-glucopyranuronic acid

C15H15NO7 (321.08484799999997)

Oxocalycinine

C18H11NO5 (321.0637196)

DTXSID60914992

C19H15NO4 (321.10010300000005)

CHEMBL3331117

C19H15NO4 (321.10010300000005)

7-oxohernangerine

C18H11NO5 (321.0637196)

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

Thr Met Ala

C12H23N3O5S (321.1358348)

Clopidogrel

Methyl 2-(2-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4h)-yl)acetate

C16H16ClNO2S (321.0590226)

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.

MMV652003

C15H11NO3BF3 (321.0784042)

MMV045105

C19H19N3O2 (321.14771939999997)

MMV007803

C16H16NO2ClS (321.05902260000005)

Dimethenamid-ESA

S-Glutaryldihydrolipoamide

C13H23NO4S2 (321.1068438)

L-L-Homoglutathione

2-amino-4-({1-[(2-carboxyethyl)carbamoyl]-2-sulfanylethyl}carbamoyl)butanoic acid

C11H19N3O6S (321.0994514)

2-[4-(3,4-Methylenedioxyphenyl)butyl]-4(1H)-quinolinone

2-[4-(2H-1,3-benzodioxol-5-yl)butyl]-1,4-dihydroquinolin-4-one

C20H19NO3 (321.1364864000001)

Cepharadione B

15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2,4,6,8,13(17),14-heptaene-11,12-dione

C19H15NO4 (321.10010300000005)

Niazirinin

6-[4-(cyanomethyl)phenoxy]-4,5-dihydroxy-2-methyloxan-3-yl acetate

C16H19NO6 (321.1212314)

(±)-Clopidogrel

C16H16ClNO2S (321.0590226)

4-(4-ETHOXY-PHENYLSULFAMOYL)-BENZOIC ACID

C15H15NO5S (321.06709)

2-amino-3-nitro-6-phenyl-4-thiophen-2-ylbenzonitrile

C17H11N3O2S (321.0571946)

6-Nitronaphtho[7,8,1,2,3-nopqr]tetraphene

C22H11NO2 (321.0789746)

4-[(4-Amino-5-methoxy-2-methylphenyl)azo]benzenesulfonic acid

C14H15N3O4S (321.078323)

Methyl 2-(2-chlorophenyl)-2-(4,5-dihydrothieno[2,3-c]pyridin-6(7H)-yl)acetate

C16H16ClNO2S (321.0590226)

diethyl 5-chloro-8-methylquinoline-2,3-dicarboxylate

C16H16ClNO4 (321.0767806)

diethyl 6-chloro-8-methylquinoline-2,3-dicarboxylate

C16H16ClNO4 (321.0767806)

4-Fluorococaine

C17H20FNO4 (321.13762920000005)

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].

R-(-)-Apomorphine

C17H20ClNO3 (321.1131640000001)

Norcodeine Hydrochloride

C17H20ClNO3 (321.1131640000001)

[3-(1,3-benzoxazol-2-yl)-2-oxochromen-7-yl] acetate

C18H11NO5 (321.0637196)

N-BOC-BETA-ALANINE-BETA-4-METHOXYPHENYL-N-CARBOXYANHYDRIDE

C16H19NO6 (321.1212314)

DIETHYL 6-ACETYL-5,6-DIHYDROPYRIDO[3,4-B]PYRAZINE-7,7(8H)-DICARBOXYLATE

C15H19N3O5 (321.1324644)

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

BENZYL 2-BENZYL-4-OXO-3,4-DIHYDROPYRIDINE-1(2H)-CARBOXYLATE

C20H19NO3 (321.1364864000001)

4-chloro-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline

C16H20ClN3O2 (321.124397)

Fengabine

C17H17Cl2NO (321.06871320000005)

C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent

Boc-L-3-Benzothienylalanine

C16H19NO4S (321.10347340000004)

(dimethyl)[10H-pyrido[3,2-b][1,4]benzothiazine-10-propyl]ammonium chloride

C16H20ClN3S (321.10663900000003)

(9H-FLUOREN-9-YL)METHYL-3-OXOPIPERIDINE-1-CARBOXYLATE

C20H19NO3 (321.1364864000001)

2-((2-(TRIFLUOROMETHYL)BENZYL)OXY)ISOINDOLINE-1,3-DIONE

C16H10F3NO3 (321.06127460000005)

(-)-clopidogrel

C16H16ClNO2S (321.0590226)

(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)

8-HYDROXYQUINOLINE GLUCURONIDE

C15H15NO7 (321.08484799999997)

2-chloro-7-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)quinoline

C18H12ClN3O (321.0668852)

(E)-1-(3-(2-(7-CHLOROQUINOLIN-2-YL)VINYL)PHENYL)PROP-2-EN-1-OL

C20H16ClNO (321.09203560000003)

Benzeneethanol,4-nitro-, 1-(4-methylbenzenesulfonate)

C15H15NO5S (321.06709)

Methyl 4-(4-fluorophenyl)-2-(cyclopropyl)-3-quinolinecarboxylate

C20H16FNO2 (321.1165008)

(3-(N-(4-METHOXYBENZYL)SULFAMOYL)PHENYL)BORONIC ACID

C14H16BNO5S (321.08421960000004)

1-[ISOCYANO-(TOLUENE-4-SULFONYL)-METHYL]-NAPHTHALENE

C19H15NO2S (321.08234500000003)

[2,2:6,2-Terpyridine]-3,4-dicarboxylic acid

C17H11N3O4 (321.0749526)

2-chloro-8-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)quinoline

C18H12ClN3O (321.0668852)

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

C16H19NO6 (321.1212314)

TBTU

C11H16BF4N5O (321.1383964)

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)

4-(4-nitrobenzoyloxy)-2,2,6,6-tetramethyl-1-piperidinyloxy

C16H21N2O5 (321.1450396)

Boc-D-3-Benzothienylalanine

C16H19NO4S (321.10347340000004)

H-Tyr(Bzl)-OMe.HCl

C17H20ClNO3 (321.1131640000001)

3-(4-fluorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile

C19H16FN3O (321.1277338)

BOC-3-(3-BENZOTHIENYL)-DL-ALANINE

C16H19NO4S (321.10347340000004)

4-chloro-N-(2-hydroxyethyl)-N-[(2-methyl-3-bicyclo[2.2.1]heptanyl)methyl]benzamide

C18H24ClNO2 (321.1495474)

1-Benzyl-3-(2,2,2-trifluoro-acetyl)piperidin-4-one HCl

C14H15ClF3NO2 (321.0743356)

3-(4-OXO-3,4-DIHYDROPYRIDO[3,2:4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENYL ACETATE

C17H11N3O4 (321.0749526)

1H-Indole-2-propanoic acid, 3-[(1,1-dimethylethyl)thio]-5-methoxy-methyl ester

C17H23NO3S (321.1398568)

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

C15H15NO5S (321.06709)

oxazidione

C20H19NO3 (321.1364864000001)

METHYL 5-AMINO-2-(4-NITRO-1-OXOISOINDOLIN-2-YL)-5-OXOPENTANOATE

C14H15N3O6 (321.096081)

ETHYL 8-ALLYL-5-HYDROXY-2-(METHYLTHIO)-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE

C14H15N3O4S (321.078323)

Isothipendyl hydrochloride

C16H20ClN3S (321.10663900000003)

D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist

(2-Fluorophenoxy)acetic acid

C17H20ClNO3 (321.1131640000001)

4-Chloro-6-Methoxy-7-(3-pyrrolidin-1-yl-propoxy)-quinazoline

C16H20ClN3O2 (321.124397)

6,2]Terpyridine-6,6-dicarboxylic acid

C17H11N3O4 (321.0749526)

Cresyl Violet acetate

C18H15N3O3 (321.11133600000005)

1-(2-ANTHRACENYL)-4-PHENYL-1H-[1,2,3]TRIAZOLE

C22H15N3 (321.126591)

Hydrazinecarbothioamide, 2-[(2-hydroxyphenyl)methylene]-N-1-naphthalenyl-

C18H15N3OS (321.09357800000004)

N-[(2-HYDROXY-NAPHTHALEN-1-YL)-(4-METHOXY-PHENYL)-METHYL]-ACETAMIDE

C20H19NO3 (321.1364864000001)

9H-fluoren-9-ylmethyl 2,5-dioxopyrrolidine-1-carboxylate

C19H15NO4 (321.10010300000005)

(R)-5-(Azidomethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxazolidinone

C14H16FN5O3 (321.1237118)

N-cyclopentyl-5-(2,4-dichlorophenyl)-2-methylpyrimidin-4-amine

C16H17Cl2N3 (321.07994620000005)

4-[3,5-bis(trifluoromethyl)phenoxy]aniline

C14H9F6NO (321.0588296)

Methyl (2S)-(2-chlorophenyl)(4,7-dihydrothieno[2,3-c]pyridin-6(5H)-yl)acetate

C16H16ClNO2S (321.0590226)

8-[2-(2-Pyridyl)phenyl]-5H-pyrido[3,2-b]indole

C22H15N3 (321.126591)

DB07268

2-((2-((3-Hydroxyphenyl)amino)pyrimidin-4-yl)amino)benzamide

C17H15N5O2 (321.122569)

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

C15H19N3O5 (321.1324644)

1-([4-((2S)PYRROLIDIN-2-YL)PHENYL]SULFONYL)-4-CHLOROBENZENE

C16H16ClNO2S (321.0590226)

2-amino-4-cyclohexyl-3-nitro-6-phenylbenzonitrile

C19H19N3O2 (321.14771939999997)

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)

Clenbuterol-D9 HCl

C12H10Cl3D9N2O (321.11278400200007)

7-chloro-3-(2-methylquinolin-6-yl)quinazolin-4-one

C18H12ClN3O (321.0668852)

Gefitinib impurity 1

C15H19N3O5 (321.1324644)

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-

C11H16ClN3O4S (321.0550006)

2-TERT-BUTOXYCARBONYLAMINO-5-TRIFLUOROMETHOXY-BENZOIC ACID

C13H14F3NO5 (321.082403)

1-Fmoc-4-Piperidone

C20H19NO3 (321.1364864000001)

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

C18H18F3NO (321.1340414)

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

3-Deoxy-3-aminothymidine monophosphate

C10H16N3O7P (321.0725836)

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)

(E)-1-(2-hydroxyphenyl)-3-((1R,4R)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl)prop-2-en-1-one

C19H19N3O2 (321.14771939999997)

Lanperisone hydrochloride

C15H19ClF3NO (321.110719)

4-Chloro-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile

C18H12ClN3O (321.0668852)

(Z)-7-((dimethylamino)methyl)-6-hydroxy-2-((E)-3-phenylallylidene)benzofuran-3(2H)-one

C20H19NO3 (321.1364864000001)

2-({3-[(4-Methylbenzyl)oxy]-2-thienyl}carbonyl)-1-hydrazinecarbothioamide

C14H15N3O2S2 (321.060565)

N-(4-methoxyphenyl)-5-[(4-methylphenyl)methyl]furan-2-carboxamide

C20H19NO3 (321.1364864000001)

Ethyl 4-amino-2-[(3-nitropyridin-2-yl)sulfanyl]pyrimidine-5-carboxylate

C12H11N5O4S (321.05317260000004)

6-methyl-N-(2-methylphenyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide

C19H19N3O2 (321.14771939999997)

1-[(1,3-Benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide

C15H19N3O3S (321.11470640000005)

N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide

C15H11BF3NO3 (321.0784042)

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

C17H15N5O2 (321.122569)

2-[(2-Oxo-2-piperidin-1-ylethyl)thio]-6-(trifluoromethyl)pyrimidin-4(1H)-one

C12H14F3N3O2S (321.07587800000005)

6-(3-Aminopropyl)-4,9-dimethylpyrrolo[3,4-C]carbazole-1,3(2H,6H)-dione

C19H19N3O2 (321.14771939999997)

3-({2-[(2-Amino-6-methylpyrimidin-4-YL)ethynyl]benzyl}amino)-1,3-oxazol-2(3H)-one

C17H15N5O2 (321.122569)

4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose

C13H23NO8 (321.1423598)

4,6-Dideoxy-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}hexopyranose

C13H23NO8 (321.1423598)

Vipadenant

C16H15N7O (321.133802)

carboquone

C15H19N3O5 (321.1324644)

5-[(2-chlorophenyl)methylsulfanylmethyl]-N-cyclopropylfuran-2-carboxamide

C16H16ClNO2S (321.0590226)

6-Chloro-7-(2-morpholin-4-yl-ethylamino)quinoline-5,8-dione

C15H16ClN3O3 (321.08801359999995)

indole-3-acetyl-phenylalanine

N-(1-Carboxy-2-phenylethyl)-2-(1H-indol-3-yl)ethanecarboximidic acid

C19H17N2O3- (321.12391120000007)

N-[(R)-pantothenoyl]-L-cysteinate

Beta-Citryl-L-glutamic acid

C11H15NO10 (321.069593)

2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)-5,6,7,8-tetrahydroxypterin

C9H15N5O8 (321.092059)

Methyl 2-(2-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4h)-yl)acetate

C16H16ClNO2S (321.0590226)

S(8)-glutaryldihydrolipoamide

C13H23NO4S2 (321.1068438)

beta-Citrylglutamic acid

C11H15NO10 (321.069593)

An N-acyl-L-glutamic acid in which the acyl group is specified as beta-citryl.

Beta-Citryl-glutamic acid

C11H15NO10 (321.069593)

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.

CMS-121

C20H19NO3 (321.1364864000001)

CMS-121 is a quinolone derivative and an orally active acetyl-CoA carboxylase 1 (ACC1) inhibitor. CMS-121 protects HT22 cells against ischemia and oxidative damage with EC50 values of 7 nM and 200 nM, respectively. CMS-121 has strong neuroprotective, anti-inflammatory, antioxidative and renoprotective activities[1][2][3].