Exact Mass: 345.0610398
Exact Mass Matches: 345.0610398
Found 236 metabolites which its exact mass value is equals to given mass value 345.0610398,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Triflumizole
CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4745; ORIGINAL_PRECURSOR_SCAN_NO 4742 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4719; ORIGINAL_PRECURSOR_SCAN_NO 4717 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4736; ORIGINAL_PRECURSOR_SCAN_NO 4734 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4793; ORIGINAL_PRECURSOR_SCAN_NO 4791 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4768; ORIGINAL_PRECURSOR_SCAN_NO 4766 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4866; ORIGINAL_PRECURSOR_SCAN_NO 4864 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9932; ORIGINAL_PRECURSOR_SCAN_NO 9930 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9966; ORIGINAL_PRECURSOR_SCAN_NO 9964 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9898; ORIGINAL_PRECURSOR_SCAN_NO 9896 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9932; ORIGINAL_PRECURSOR_SCAN_NO 9927 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9953; ORIGINAL_PRECURSOR_SCAN_NO 9952 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9950; ORIGINAL_PRECURSOR_SCAN_NO 9949
Azinphos-ethyl
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 3654 CONFIDENCE standard compound; INTERNAL_ID 2608 CONFIDENCE standard compound; INTERNAL_ID 8478
Cyclic GMP
Cyclic-gmp, also known as cgmp or guanosine 3,5-cyclic monophosphate, is a member of the class of compounds known as 3,5-cyclic purine nucleotides. 3,5-cyclic purine nucleotides are purine nucleotides in which the oxygen atoms linked to the C3 and C5 carbon atoms of the ribose moiety are both bonded the same phosphorus atom of the phosphate group. Cyclic-gmp is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Cyclic-gmp can be found in a number of food items such as common sage, jews ear, java plum, and pepper (c. chinense), which makes cyclic-gmp a potential biomarker for the consumption of these food products. Cyclic-gmp can be found primarily in blood and cerebrospinal fluid (CSF), as well as throughout most human tissues. Cyclic-gmp exists in all living species, ranging from bacteria to humans. Moreover, cyclic-gmp is found to be associated with headache. Guanosine cyclic 3,5-(hydrogen phosphate). A guanine nucleotide containing one phosphate group which is esterified to the sugar moiety in both the 3- and 5-positions. It is a cellular regulatory agent and has been described as a second messenger. Its levels increase in response to a variety of hormones, including acetylcholine, insulin, and oxytocin and it has been found to activate specific protein kinases. (From Merck Index, 11th ed). Acquisition and generation of the data is financially supported in part by CREST/JST. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Thiamine monophosphate
[C12H18N4O4PS]+ (345.07863380000003)
Thiamine monophosphate, also known as thiamin phosphoric acid or TMP, belongs to the class of organic compounds known as thiamine phosphates. These are thiamine derivatives in which the hydroxyl group of the ethanol moiety is substituted by a phosphate group. Thiamine monophosphate is a very strong basic compound (based on its pKa). Thiamine monophosphate is one of the five known natural thiamine phosphate derivatives. Thiamine (vitamin B1) is the transport form of the vitamin while the phosphorylated derivatives are the active forms. Thiamine dihydrogen phosphate ester. The monophosphate ester of thiamine. Synonyms: monophosphothiamine; vitamin B1 monophosphate. -- Pubchem [HMDB] Acquisition and generation of the data is financially supported in part by CREST/JST. D018977 - Micronutrients > D014815 - Vitamins KEIO_ID T057; [MS3] KO009298 KEIO_ID T057; [MS2] KO009297 KEIO_ID T057
Guanosine 2',3'-cyclic phosphate
2,3-Cyclic GMP is a cyclic guanosine derivative that is a precursor to 3-GMP. The enzyme 23-cyclic-nucleotide 2-phosphodiesterase (E.C. 3.1.4.16) catalyses the hydrolysis of both 2,3-cyclic AMP and 2,3-cyclic GMP into 3-AMP and 3-GMP, respectively, at the 3-terminal of RNA. 2,3-cyclic phosphate termini are produced, as either intermediates or final products, during RNA cleavage by many different endoribonucleases. The enzyme RNA 3-phosphate cyclase also converts the 3-terminal phosphate in RNA into the 2,3-cyclic phosphodiester in the ATP-dependent reaction which involves formation of the covalent cyclase-AMP and the RNA-N3 pp5 A intermediates (PMID: 10397337). This enzyme could be involved in the maintenance of cyclic ends in tRNA splicing intermediates or in the cyclization of the 3 end of U6 snRNA (PMID: 9184239). Guanosine-2,3-cyclic phosphate is capable of blocking DNA synthesis in vitro (PMID: 7528887). 2, 3-cGMP seems to preferentially stimulate mature T-cells while 3, 5-cGMP preferentially acts on B-cells (PMID: 163786).
Capensinidin
An anthocyanidin cation consisting of benzopyrylium with hydroxy substituents at positions 3 and 7, a methoxy group at position 5 and a 4-hydroxy-3,5-dimethoxyphenyl group at position 2 respectively.
Hirsutidin
An anthocyanidin cation consisting of benzopyrylium with hydroxy substituents at positions 3 and 5, a methoxy group at position 7 and a 4-hydroxy-3,5-dimethoxyphenyl group at position 2.
Molybdopterin precursor Z
Molybdopterin precursor Z is a molybdopterin precursor. All molybdenum-containing oxotransferases use molybdenum in the form of a pterin-containing cofactor. In some of these enzymes, this cofactor consists of molybdenum ligated to a phosphorylated pterin, called molybdopterin (MPT). MPT is a tricyclic pyranopterin containing a cis-dithiolene group. Together, the metal and the pterin moiety form the redox reactive molybdenum cofactor (MoCo). Conversion of precursor Z to molybdopterin requires the opening of a cyclic phosphate to produce a terminal mono-ester and the transfer of sulfur to generate the dithiolene function essential for molybdenum ligation. Molybdopterin (MPT)-synthase is the enzyme necessary for the conversion of precursor Z into molybdopterin. The large and small subunits of molybdopterin synthase are both encoded from a single gene by overlapping open reading frames. Mutations in patients with deficiencies in MoCo biosynthesis usually occur in the enzymes catalyzing the first and second steps of biosynthesis, leading to the formation of precursor Z and MPT, respectively. The second step is catalyzed by the heterotetrameric MPT synthase protein consisting of two large (MoaE) and two small (MoaD) subunits with the MoaD subunits located at opposite ends of a central MoaE dimer. Previous studies have determined that the conversion of the sulfur- and metal-free precursor Z to MPT by MPT synthase involves the transfer of sulfur atoms from a C-terminal MoaD thiocarboxylate to the C-1 and C-2 positions of precursor Z. [HMDB] Molybdopterin precursor Z is a molybdopterin precursor. All molybdenum-containing oxotransferases use molybdenum in the form of a pterin-containing cofactor. In some of these enzymes, this cofactor consists of molybdenum ligated to a phosphorylated pterin, called molybdopterin (MPT). MPT is a tricyclic pyranopterin containing a cis-dithiolene group. Together, the metal and the pterin moiety form the redox reactive molybdenum cofactor (MoCo). Conversion of precursor Z to molybdopterin requires the opening of a cyclic phosphate to produce a terminal mono-ester and the transfer of sulfur to generate the dithiolene function essential for molybdenum ligation. Molybdopterin (MPT)-synthase is the enzyme necessary for the conversion of precursor Z into molybdopterin. The large and small subunits of molybdopterin synthase are both encoded from a single gene by overlapping open reading frames. Mutations in patients with deficiencies in MoCo biosynthesis usually occur in the enzymes catalyzing the first and second steps of biosynthesis, leading to the formation of precursor Z and MPT, respectively. The second step is catalyzed by the heterotetrameric MPT synthase protein consisting of two large (MoaE) and two small (MoaD) subunits with the MoaD subunits located at opposite ends of a central MoaE dimer. Previous studies have determined that the conversion of the sulfur- and metal-free precursor Z to MPT by MPT synthase involves the transfer of sulfur atoms from a C-terminal MoaD thiocarboxylate to the C-1 and C-2 positions of precursor Z.
Aquex
C14H20ClN3O3S (345.09138400000006)
Cyclic apt
C10H12N5O5PS (345.02967520000004)
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
4-[2-(3,4-Dihydro-6,7-dimethoxy-4-methyl-3-oxo-2-quinoxalinyl)ethyl]-3H-1,2,4-triazole-3,5(4H)-dione
C15H15N5O5 (345.10731400000003)
p-Hydroxyfentiazac
C17H12ClNO3S (345.02263920000007)
Vonoprazan
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BC - Proton pump inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor
3-[5-(2-Phenyleth-1-ynyl)-2-thienyl]-2-(2-thienylcarbonyl)acrylonitrile
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-benzothiophene-2-carboxamide
C17H12ClNO3S (345.02263920000007)
EP_M346
CONFIDENCE Transformation product, tentative ID (Level 3 structure); INTERNAL_ID 2201
6-Mehylaminopurindeoxyribosid-5-monophosphat|N6-methyl-2-deoxy-[5]adenylic acid|N6-methyl-2-deoxyadenosine 5-monophosphate|N6-Methyl-2-desoxy-[5]adenylsaeure|N6-methyl-dAMP|N6-methyldeoxyadenosine 5-phosphate
C11H16N5O6P (345.08381660000003)
5-amino-10-hydroxy-1-methyl-4h-benzo[2,3]phenanthro[4,5-bcd]pyran-4,6,12-trione
(2S)-2-{[1-(4-bromo-1H-pyrrol-2-yl)methanoyl]amino}-5-guanidinopentanoic acid|4-bromopyrrole-2-carboxyarginine
3,4-Dihydro-5-(dimethylamino)-6,7-dimethoxy-8-(methyldithio)-1H-2-benzothiopyran-1-one
3alpha-(4,4,4-Trichloro-2-butyryloxy)tropane
C17H22Cl3N (345.08177420000004)
clopamide
C14H20ClN3O3S (345.09138400000006)
C - Cardiovascular system > C03 - Diuretics > C03B - Low-ceiling diuretics, excl. thiazides > C03BA - Sulfonamides, plain C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49185 - Thiazide Diuretic D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
precursor Z
A linear-fused organic heterotetracyclic compound consisting of a [1,3,2]dioxaphosphinane fused to a pyran-4-one ring which is in turn fused to a pteridine ring system.
3,5-cyclic GMP
A 3,5-cyclic purine nucleotide in which the purine nucleobase is specified as guanidine.
Thiamine monophosphate chloride dihydrate
[C12H18N4O4PS]+ (345.07863380000003)
Cytosine arabinoside, (beta-D-Furanose-form, 5-Phosphate)
Origin: Microbe, Pyrimidines
Cyclic GMP
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Thiamine monophosphate
C12H18N4O4PS+ (345.07863380000003)
D018977 - Micronutrients > D014815 - Vitamins
benzoxazolium, 2-methyl-5-phenyl-3-(4-sulfobutyl)-,hydroxide, inner salt
C18H19NO4S (345.10347340000004)
D-(+)-Methyl-alpha-(2-thienylethamino)(2-chlorophenyl)acetate hydrochloride
C15H17Cl2NO2S (345.03570020000006)
5-O-benzyl 2-O-ethyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxylate
C18H19NO4S (345.10347340000004)
4-hydroxy-7-[(4-methoxyphenyl)amino]naphthalen-2-sulphonic acid
R-Fluoxetine hydrochloride
C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
(R)-METHYL 5-AMINO-3-(1-(2-(TRIFLUOROMETHYL)PHENYL)ETHOXY)THIOPHENE-2-CARBOXYLATE
C15H14F3NO3S (345.06464500000004)
1-hydroxy-4-[(4-methoxyphenyl)amino]anthraquinone
C21H15NO4 (345.10010300000005)
Methyl 3-{[(2,6-difluoropheyl)sulfonyl]amino}-2-fluorabenzoate
3,3-Diphenyltetrahydrofuran-2-ylidene(dimethyl)ammonium bromide
C18H20BrNO (345.07281700000004)
(Z)-3-(4-BROMOPHENYL)-N,N-DIMETHYL-3-(3-PYRIDYL)ALLYLAMINEDIHYDROCHLORIDE
3-(3-BROMOPHENYL)-N,N,N-TRIETHYL-3-OXOPROP-1-EN-1-AMINIUM CHLORIDE
C15H21BrClNO (345.04949460000006)
3-(4-CHLORO-BENZENESULFONYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C15H20ClNO4S (345.08015100000006)
(s)-(+)-n-(3,5-dinitrobenzoyl)-alpha-phenylglycine
2,3,4,5-Tetrahydro-7,8-dinitro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine
1-(TERT-BUTOXYCARBONYL)-5-(TRIFLUOROMETHOXY)INDOLE-2-BORONIC ACID
C14H15BF3NO5 (345.09953260000003)
[1-[(2-methylpropan-2-yl)oxycarbonyl]-6-(trifluoromethoxy)indol-2-yl]boronic acid
C14H15BF3NO5 (345.09953260000003)
Methyl a-[[2-(thien-2-yl)ethyl]amino]-alpha-(2-chlorophenyl)acetate hydrochloride
C15H17Cl2NO2S (345.03570020000006)
8-(4-Bromobenzyl)-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one
Fluoxetine Hydrochloride
D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065690 - Cytochrome P-450 CYP2D6 Inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators
((2-BROMO-6-NITROBENZYL)OXY)(TERT-BUTYL)DIMETHYLSILANE
C13H20BrNO3Si- (345.03957500000007)
4-Methoxy-2-naphthylamine p-toluenesulfonate salt
C18H19NO4S (345.10347340000004)
(2-AMINO-PHENYL)-PYRROLIDIN-1-YL-METHANONE
C14H20BrNO2S (345.03980400000006)
4-methylsulfanyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one
C20H15N3OS (345.09357800000004)
tert-butyl 5-(trifluoromethylsulfonyloxy)-2,3,4,7-tetrahydroazepine-1-carboxylate
2,4,5,6-Tetrahydro-2-(methylsulfonyl)pyrrolo[3,4-c]pyrazole benzenesulfonate
ETHYL 4-((3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL)OXY)BENZOATE
C15H11ClF3NO3 (345.03795220000006)
4-PHENYL-1-(PHENYLSULFONYL)PIPERIDINE-4-CARBOXYLIC ACID
C18H19NO4S (345.10347340000004)
2-(2-AMINOPHENYL)-5-(2-BROMO-5-METHOXYPHENYL)-1,3,4-OXADIAZOLE
benzene-1,2,4-tricarboxylic acid,3-(2-methylimidazol-1-yl)propanenitrile
2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
C15H17Cl2NO4 (345.0534582000001)
5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde
3,4-bis(2,4,5-trimethylthiophen-3-yl)pyrrole-2,5-dione
C18H19NO2S2 (345.08571539999997)
Sp-Camps
C10H12N5O5PS (345.02967520000004)
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
alpha-Methylene adenosine monophosphate
C11H16N5O6P (345.08381660000003)
3-O-phosphonatoadenosine
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Ethyl 5-amino-3-(4-methoxyphenyl)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate
(E)-3-(4-fluorophenyl)-N-[(pyrazine-2-carbonylamino)carbamothioyl]prop-2-enamide
C15H12FN5O2S (345.06957040000003)
methyl 2-[4-(4-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate
C18H16ClNO4 (345.07678060000006)
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[[1-(phenylmethyl)-2-imidazolyl]thio]acetamide
N6-Methyl-deoxy-adenosine-5-monophosphate
C11H16N5O6P (345.08381660000003)
Formamide, N-((4-((3-(trifluoromethyl)phenyl)amino)-3-pyridinyl)sulfonyl)-
2-(2,4-Dichlorophenoxy)-5-(pyridin-2-ylmethyl)phenol
N-[[3-Fluoro-4-ethoxy-pyrid-2-YL]ethyl]-N-[5-nitrilomethyl-pyridyl]-thiourea
2-Chloro-N-[(3r)-2-Oxo-1,2,3,4-Tetrahydroquinolin-3-Yl]-6h-Thieno[2,3-B]pyrrole-5-Carboxamide
N-Hydroxy 1N(4-methoxyphenyl)sulfonyl-4-(Z,E-N-methoxyimino)pyrrolidine-2R-carboxamide
D-Para-Chlorophenyl-1-Acteamidoboronic Acid Alanine
C13H19BClN2O6- (345.10246340000003)
[(1R)-1-acetamido-2-(4-chlorophenyl)ethyl]-[(2S)-2-amino-3-hydroxy-3-oxo-propoxy]-dihydroxy-boron
C13H19BClN2O6- (345.10246340000003)
Vonoprazan
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BC - Proton pump inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor
2-[(2-Acetyl-5-tert-butylthiophen-3-yl)carbamoyl]benzoic acid
C18H19NO4S (345.10347340000004)
4-(4-chlorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]thiophene-2-carboxamide
2-[3-(7-bromo-9H-pyrido[3,4-b]indol-1-yl)propyl]guanidine
8-amino-2-hydroxy-4a,5a,9,11,11a,12a-hexahydro[1,3,2]dioxaphosphinino[4,5:5,6]pyrano[3,2-g]pteridine-10,12(4H,6H)-dione 2-oxide
1-{[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazol-3-ol
Adenosine 5-phosphoramidate(1-)
Conjugate base of adenosine 5-phosphoramidate; major species at pH 7.3.
2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate
C9H14O12P-3 (345.02228740000004)
2-O-(alpha-D-glucopyranosyl)-3-phospho-D-glycerate
C9H14O12P-3 (345.02228740000004)
3-deoxy-D-glycero-beta-D-galacto-nonulosonate 9-phosphate(3-)
C9H14O12P-3 (345.02228740000004)
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-4H-chromen-4-one
(4R)-2-acetyl-4-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-4-methyl-3-oxocyclohexa-1,5-dien-1-olate
[(2R,3S,5R)-3-hydroxy-5-(6-imino-1-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
C11H16N5O6P (345.08381660000003)
(1R,10R)-5-amino-14-hydroxy-14-oxo-13,15,18-trioxa-2,4,6,9-tetraza-14lambda5-phosphatetracyclo[8.8.0.03,8.012,17]octadeca-3(8),4-diene-7,11-dione
2-(alpha-D-mannosyl)-3-phosphonatoglycerate(3-)
C9H14O12P-3 (345.02228740000004)
3-Phenyl-N-[N-(2-thiophen-2-yl-acetyl)-hydrazinocarbothioyl]-acrylamide
(4aR,6R,7R,7aS)-6-(6-amino-1-oxo-9H-1lambda(5)-purin-9-yl)-2,7-dihydroxytetrahydro-2H,4H-2lambda(5)-furo[3,2-d][1,3,2]dioxaphosphinin-2-one
5-Amino-3-(4-methoxyphenyl)-7-methyl-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid methyl ester
5-(2,4-dichlorophenyl)-N-(2-methylphenyl)-2-furancarboxamide
2-(2,3-Dimethoxyphenyl)-3-(4-methoxyphenyl)-4-thiazolidinone
C18H19NO4S (345.10347340000004)
2-[[(4-Acetyloxy-3-methoxyphenyl)-oxomethyl]amino]-5-hydroxybenzoic acid
C17H15NO7 (345.08484799999997)
N-[N-(Furan-2-carbonyl)-hydrazinocarbothioyl]-3-(4-methoxy-phenyl)-acrylamide
N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-2-nitrobenzamide
C17H16ClN3O3 (345.08801359999995)
1-[1-(3-Fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanone
1-[3-(2-Bromo-4-chlorophenoxy)propyl]-4-methylpiperidine
C15H21BrClNO (345.04949460000006)
2-(2-oxo-1,3-benzothiazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
Furan-2-carboxylic acid 4-(3-methyl-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-phenyl ester
6-[(2,4-Difluorophenyl)methyl]-2,4-dimethyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone
3,5-Dichloro-N-[(E)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridin-2-amine
6-[(2,5-Difluorophenyl)methyl]-2,4-dimethyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone
8,5-Cyclo-2-deoxyguanosine monophosphate
An organic heterotetracyclic compound obtained by intramolecular formation of a C-C bond between positions 8 and 5 of dGMP.
2-(1-Iminoethyl)-4-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-3-oxobutanenitrile
[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl] furan-2-carboxylate
C16H11NO6S (345.03070660000003)
methyl 5-(4-hydroxyphenyl)-7-methyl-4-oxo-2-sulfanylidene-5,6-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
(5E)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
C20H15N3OS (345.09357800000004)
5-Amino-11,14-dihydroxy-14-oxo-13,15,18-trioxa-2,4,6,9-tetraza-14lambda5-phosphatetracyclo[8.8.0.03,8.012,17]octadeca-3(8),4,11-trien-7-one
2,3-Cyclic GMP
A 2,3-cyclic purine nucleotide in which guanosine is used as the parent nucleoside.
3-AMP(2-)
The organophosphate oxoanion which results from the removal of two protons from the phosphate group of 3-AMP; major species at pH 7.3.
2-deoxyguanosine 5-monophosphate(2-)
A 2-deoxyribonucleoside 5-monophosphate(2-) obtained by deprotonation of the phosphate OH groups of 2-deoxyguanosine 5-monophosphate (dGMP).
8-oxo-dAMP(2-)
An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of 8-oxo-dAMP.
3-deoxy-D-glycero-beta-D-galacto-nonulosonate 9-phosphate(3-)
C9H14O12P (345.02228740000004)
A carbohydrate acid derivative anion obtained by deprotonation of the phosphate and carboxy groups of 3-deoxy-D-glycero-beta-D-galacto-nonulosonic acid 9-phosphate
2-amino-9-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-3H-purin-6-one
Adenosine 2-phosphate(2-)
An organophosphate oxoanion obtained by removal of two protons from the phosphate group of adenosine 2-phosphate; major species at pH 7.3.
thiamine(1+) monophosphate
C12H18N4O4PS (345.07863380000003)
A thiamine phosphate that is thiamin(1+) in which the hydroxy group is replaced by a phosphate group.
adenosine 5-monophosphate(2-)
A nucleoside 5-monophosphate(2-) that results from the removal of two protons from the phosphate group of adenosine 5-monophosphate (AMP).
Guanosine 3'5-cyclic monophosphate
cGMP. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=7665-99-8 (retrieved 2024-07-02) (CAS RN: 7665-99-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
CGP 25454A
CGP 25454A is a selective presynaptic dopamine autoreceptor antagonist which induces the increase of dopamine and acetyl choline. CGP 25454A can be used for major depression research[1].
PF-06685249
C17H16ClN3O3 (345.08801359999995)
PF-06685249 (PF-249) is a potent and orally active allosteric AMPK activator with an EC50 of 12 nM for recombinant AMPK α1β1γ1. PF-06685249 can be used for diabetic nephropathy research[1].
VU10010
VU10010 is a potent, highly selective and allosteric M4 mAChR potentiator with an EC50 of 400 nM. VU10010 binds to an allosteric site on M4 mAChR and increases affinity for acetylcholine and coupling to G proteins. VU10010 increases carbachol-induced depression of transmission at excitatory but not inhibitory synapses in the hippocampus[1].
Zacopride (hydrochloride)
Zacopride hydrochloride is a highly potent 5-HT3 receptor antagonist with Kis of 0.38 and 373 nM for 5-HT3 and 5-HT4 receptor, respectively. Zacopride hydrochloride is also a moderate IK1 channel agonist. Zacopride hydrochloride exerts significant antiarrhythmic and cardiac protective effects[1][2][3].
5-(dimethylamino)-6,7-dimethoxy-8-(methyldisulfanyl)-3,4-dihydro-2-benzothiopyran-1-one
2-hydroxyethyl glucosinolate
{"Ingredient_id": "HBIN005798","Ingredient_name": "2-hydroxyethyl glucosinolate","Alias": "NA","Ingredient_formula": "C9H15NO9S2","Ingredient_Smile": "C=CC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10102","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-hydroxy-4-(6-hydroxy-2-imino-3h-purin-9-yl)-6-(hydroxymethyl)-tetrahydro-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-2-one
[3,5-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-7-ylidene](methyl)oxidanium
7-(4-methylpent-3-en-1-yl)-2h,3h,4h-1λ⁶-naphtho[2,3-b][1,4]thiazine-1,1,5,10-tetrone
C18H19NO4S (345.10347340000004)
19-methoxy-3,5-dioxa-11-azahexacyclo[9.9.2.0²,⁶.0⁸,²¹.0¹⁴,²².0¹⁵,²⁰]docosa-1,6,8(21),9,14(22),15(20),16,18-octaene-12,13-dione
8-(4-methylpent-3-en-1-yl)-2h,3h,4h-1λ⁶-naphtho[2,3-b][1,4]thiazine-1,1,5,10-tetrone
C18H19NO4S (345.10347340000004)
3-[(4-imino-2-methyl-3h-pyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium
[C12H18N4O4PS]+ (345.07863380000003)
(4ar,6r,7s,7ar)-2,7-dihydroxy-6-(6-hydroxy-2-imino-3h-purin-9-yl)-tetrahydro-4h-2λ⁵-furo[3,2-d][1,3,2]dioxaphosphinin-2-one
2,7-dihydroxy-6-(6-hydroxy-2-imino-3h-purin-9-yl)-tetrahydro-4h-2λ⁵-furo[3,2-d][1,3,2]dioxaphosphinin-2-one
n-(3-{7-bromo-9h-pyrido[3,4-b]indol-1-yl}propyl)guanidine
(1s)-12-acetyl-3,5,11-trihydroxy-1,4-dimethyl-13-oxo-8-oxatricyclo[7.4.0.0²,⁷]trideca-2,4,6,9,11-pentaene-6-carboximidic acid
C17H15NO7 (345.08484799999997)