Exact Mass: 322.0688644
Exact Mass Matches: 322.0688644
Found 387 metabolites which its exact mass value is equals to given mass value 322.0688644,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Thymidine-5'-monophosphoric acid
5-Thymidylic acid (conjugate base thymidylate), also known as thymidine monophosphate (TMP), deoxythymidine monophosphate (dTMP), or deoxythymidylic acid (conjugate base deoxythymidylate), is a nucleotide that is used as a monomer in DNA. It is an ester of phosphoric acid with the nucleoside thymidine. dTMP consists of a phosphate group, the pentose sugar deoxyribose, and the nucleobase thymine. Unlike the other deoxyribonucleotides, thymidine monophosphate often does not contain the "deoxy" prefix in its name; nevertheless, its symbol often includes a "d" ("dTMP"). 5-Thymidylic acid belongs to the class of organic compounds known as pyrimidine 2-deoxyribonucleoside monophosphates. These are pyrimidine nucleotides with a monophosphate group linked to the ribose moiety lacking a hydroxyl group at position 2. The neutral species of 5-Thymidylic acid (2-deoxythymidine 5-monophosphate). 5-Thymidylic acid exists in all living species, ranging from bacteria to humans. Within humans, 5-thymidylic acid participates in a number of enzymatic reactions. In particular, 5-thymidylic acid and dihydrofolic acid can be biosynthesized from dUMP and 5,10-methylene-THF by the enzyme thymidylate synthase. In addition, 5-thymidylic acid can be converted into dTDP; which is catalyzed by the enzyme thymidylate synthase. In humans, 5-thymidylic acid is involved in pyrimidine metabolism. Outside of the human body, 5-Thymidylic acid has been detected, but not quantified in several different foods, such as common buckwheats, corn salad, garden cress, squashberries, and star fruits. 5-thymidylic acid, also known as thymidylate or thymidine 5-phosphate, is a member of the class of compounds known as pyrimidine 2-deoxyribonucleoside monophosphates. Pyrimidine 2-deoxyribonucleoside monophosphates are pyrimidine nucleotides with a monophosphate group linked to the ribose moiety lacking a hydroxyl group at position 2. 5-thymidylic acid is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 5-thymidylic acid can be found in a number of food items such as burbot, enokitake, scarlet bean, and garland chrysanthemum, which makes 5-thymidylic acid a potential biomarker for the consumption of these food products. 5-thymidylic acid can be found primarily in feces, as well as in human fibroblasts tissue. 5-thymidylic acid exists in all living species, ranging from bacteria to humans. In humans, 5-thymidylic acid is involved in the pyrimidine metabolism. 5-thymidylic acid is also involved in few metabolic disorders, which include beta ureidopropionase deficiency, dihydropyrimidinase deficiency, MNGIE (mitochondrial neurogastrointestinal encephalopathy), and UMP synthase deficiency (orotic aciduria). Acquisition and generation of the data is financially supported in part by CREST/JST.
Sulprofos
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
digallate
D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors
Leukoefdin
Flavan-3,3',4,4',5,5',7-heptol is a flavanol that is 3,4-dihydro-2H-chromene which is substituted at positions 3, 4, 5, and 7 by hydroxy groups, and at position 2 by a 3,4,5-trihydroxyphenyl group. It is a hydroxyflavan, a member of catechols, a glycol, a member of resorcinols, a secondary alcohol and a polyphenol. Leucodelphinidin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=491-52-1 (retrieved 2024-07-12) (CAS RN: 491-52-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Tetrangomycin
An angucycline antibiotic that is 3,4-dihydrotetraphene-1,7,12(2H)-trione substituted by hydroxy groups at positions 3 and 8 and a methyl group at position 3 (the 3R stereoisomer) ring system. It is an antibiotic isolated from Streptomyces sp.
Sulfotep
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
DINITRAMINE
C11H13F3N4O4 (322.08888540000004)
CONFIDENCE standard compound; INTERNAL_ID 169; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4721; ORIGINAL_PRECURSOR_SCAN_NO 4718 CONFIDENCE standard compound; INTERNAL_ID 169; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4717; ORIGINAL_PRECURSOR_SCAN_NO 4714 CONFIDENCE standard compound; INTERNAL_ID 169; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4730; ORIGINAL_PRECURSOR_SCAN_NO 4727 CONFIDENCE standard compound; INTERNAL_ID 169; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4709; ORIGINAL_PRECURSOR_SCAN_NO 4705 CONFIDENCE standard compound; INTERNAL_ID 169; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4727; ORIGINAL_PRECURSOR_SCAN_NO 4726 CONFIDENCE standard compound; INTERNAL_ID 169; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4723; ORIGINAL_PRECURSOR_SCAN_NO 4720
Lepidimoic acid
Isolated from seeds of Lepidium sativum (garden cress). Lepidimoic acid is found in garden cress and brassicas. Lepidimoic acid is found in brassicas. Lepidimoic acid is isolated from seeds of Lepidium sativum (garden cress
L-gamma-Glutamyl-S-allylthio-L-cysteine
N-gamma-Glutamyl-S-(allylthio)cysteine is found in onion-family vegetables. N-gamma-Glutamyl-S-(allylthio)cysteine is a constituent of garlic (Allium sativum). Constituent of garlic (Allium sativum). L-gamma-Glutamyl-S-allylthio-L-cysteine is found in garlic, soft-necked garlic, and onion-family vegetables.
7,7'-Dihydroxy-6,8'-bicoumarin
7,7-Dihydroxy-6,8-bicoumarin is found in herbs and spices. 7,7-Dihydroxy-6,8-bicoumarin is isolated from white clover (Trifolium repens). Isolated from white clover (Trifolium repens). 7,7-Dihydroxy-6,8-bicoumarin is found in tea, herbs and spices, and pulses.
Berberrubine
C19H16NO4+ (322.10792760000004)
Berberrubine is found in fruits. Berberrubine is an alkaloid from Berberis vulgaris (barberry
4-(3,4-Dihydroxyphenyl)-2,3-dihydro-2,3-dihydroxy-1H-phenalen-1-one
4-(3,4-Dihydroxyphenyl)-2,3-dihydro-2,3-dihydroxy-1H-phenalen-1-one is found in fruits. 4-(3,4-Dihydroxyphenyl)-2,3-dihydro-2,3-dihydroxy-1H-phenalen-1-one is a constituent of Musa acuminata (dwarf banana) infected with Colletotrichum musae. Constituent of Musa acuminata (dwarf banana) infected with Colletotrichum musae. 4-(3,4-Dihydroxyphenyl)-2,3-dihydro-2,3-dihydroxy-1H-phenalen-1-one is found in fruits.
Flazine methyl ether
Flazine methyl ether is found in blackcurrant. Flazine methyl ether is an alkaloid from freshly pressed juice of blackcurrant (Ribes nigrum)(Grossulariaceae). Alkaloid from freshly pressed juice of blackcurrant (Ribes nigrum)(Grossulariaceae). Flazine methyl ether is found in fruits and blackcurrant. D004791 - Enzyme Inhibitors
thymidine 3'-monophosphate
thymidine 3-monophosphate is considered to be soluble (in water) and acidic
N-[4-[(6-Methoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
C13H14N4O4S (322.07357240000005)
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
Dansylsarcosine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003619 - Dansyl Compounds
N-(6-Chloro-9h-pyrido[3,4-b]indol-8-yl)-3-pyridinecarboxamide
Sulfotep
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
Saxalin
Saxalin is a member of the class of compounds known as psoralens. Psoralens are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. Saxalin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Saxalin can be found in parsley, which makes saxalin a potential biomarker for the consumption of this food product.
Sodium sulfate decahydrate
Added to food as a flavour or flavour-modifier, pH control agent or clarifying/flocculating agent
groenlandicine
C19H16NO4+ (322.10792760000004)
Groenlandicine is a protoberberine alkaloid isolated from Coptidis Rhizoma. Groenlandicine exhibits moderate inhibitory effect with IC50 value of 154.2 μM for human recombinant aldose reductase (HRAR)[1]. Groenlandicine selectively induces topoisomerase I-mediated DNA cleavage[2]. Groenlandicine is a protoberberine alkaloid isolated from Coptidis Rhizoma. Groenlandicine exhibits moderate inhibitory effect with IC50 value of 154.2 μM for human recombinant aldose reductase (HRAR)[1]. Groenlandicine selectively induces topoisomerase I-mediated DNA cleavage[2].
cyanidin
See also: Bilberry (part of). Cyanidin Chloride (IdB 1027), a subclass of anthocyanin, displays antioxidant and anti-carcinogenesis properties. Cyanidin Chloride (IdB 1027) inhibits osteoclast formation, hydroxyapatite resorption, and receptor activator of NF-κB ligand (RANKL)-induced osteoclast marker gene expression[1]. Cyanidin Chloride (IdB 1027), a subclass of anthocyanin, displays antioxidant and anti-carcinogenesis properties. Cyanidin Chloride (IdB 1027) inhibits osteoclast formation, hydroxyapatite resorption, and receptor activator of NF-κB ligand (RANKL)-induced osteoclast marker gene expression[1].
vulpinic acid
Vulpinic acid, a lichen metabolite, decreases H2O2-induced ROS production, oxidative stress and oxidative stress-related damages in human umbilical vein endothelial cells (HUVEC). Vulpinic acid is active against staphylococci, enterococci, and anaerobic bacteria.Vulpinic acid has?the?potential?for?atherosclerosis?research[1][2].
3-methoxy-2-(3-methoxyphenyl)furo[2,3-h]chromen-4-one
2-(2-Furylcarbonyl)-3-[4-(trifluoromethoxy)anilino]acrylonitrile
C15H9F3N2O3 (322.05652399999997)
2-(3,5-dioxo-4-phenyl-2-oxolanylidene)-2-phenylacetic acid methyl ester
4-methoxy-5-(3,4-methylenedioxycinnamoyl) benzofuran
16-bromo-(7E,15E)-hexadeca-7,15-dien-5,13-diynoic acid
C16H19BrO2 (322.05683339999996)
3,6-Dihydroxy-5-methoxy-7-phenyl-1H,3H-naphtho[1,8-cd]pyran-1-one
3,6-Dimethoxy-2-phenyl-4H-furo[2,3-h]-1-benzopyran-4-one
(9E,15E)-form-16-Bromo-9,15-hexadecadiene-5,7-diynoic acid
C16H19BrO2 (322.05683339999996)
(+)-(2S,3R,1S,6R)-5,7-dihydroxy-3,6-epoxy-1,2,3,4,5,6-tetrahydro-3,4-secoflava-4,1-lactone-3-oic acid
1-(3,4,5-Trihydroxyphenyl)-2-hydroxy-3-(2,4,6-trihydroxyphenyl)propane-1-one
(E)-5-(2-formylvinyl)-7-methoxy-2-(3,4-methylenedioxyphenyl)benzofuran
alpha-D-(Galactopyranuronsaeure)-L-rhamnose-1,2:2,1-dianhydrid|alpha-D-galactopyranuronic acid beta-L-rhamnopyranose 1,2:2,1-dianhydride
11-beta-Hydroxy-12-oxocurvularin|11beta-Hydroxy-12-oxocurvularin|8-beta-hydroxy-7-oxocurvularin
5,7-Dimethoxy-8-(3,3-dimethoxyoxiranylmethyl)-2H-1-benzopyran-2-one
(2R,3R,4R)-2-(4-carboxymethyl-gamma-butenolide-3-yl)-3,5,7-trihydroxychroman|viniferone C
ClC(C(C=C(C=CC=CC=CC(CC)C)O)=O)(Cl)Cl
C14H17Cl3O2 (322.02940720000004)
rel-(4aR,10aR)-4a,10a-dihydro-3,4a,7,10a-tetramethoxydibenzo[b,e][1,4]dioxin-1(4H)-one|sampsone B
(2S)-7,9-dihydroxy-2-(prop-1-en-2-yl)-1,2-dihydroanthra[2,1-b]furan-6,11-dione
1S,2R,3R,4S-2-[(benzoyloxy)methyl]cyclohex-5-ene-1,2,3,4-tetrol 3-acetate
1S,2R,3R,4S-2-[(benzoyloxy)methyl]cyclohex-5-ene-1,2,3,4-tetrol 4-acetate
6-(Sulfooxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid 3-methyl ester
C13H10N2O6S (322.02595600000006)
2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,6,7,8-pentol
2,3-O-Benzylidene,1,5-Di-O-Ac(R-)-beta-D-Furanose-Ribose
3,3a-Dihydro-3a-hydroxy-5-methoxy-7-phenyl-1H,6H-naphtho[1,8-cd]pyran-1,6-dione
1,2-Dihydro-1-hydroxy-2-(1,2,3-trihydroxy-3-methylbuty)-8H-furo[2,3h]-1-benzopyran-8-one
1,8-dihydroxynaphthol 1-O-alpha-glucopyranoside|naphthalene-1,8-diol-1-O-alpha-D-glucopyranoside
8-methoxy-1-naphthalenol-6-O-alpha-D-ribofuranoside
Saxalin
Saxalin is a natural product found in Harbouria trachypleura, Petroselinum crispum, and other organisms with data available.
(7,14-dioxo-5,7,12,14-tetrahydro-phthalazino[2,3-b]phthalazin-5-yl)-urea|7-Ureido-phthalazino<2,3-b>phthalazin-5,12(7H,14H)-dion
(3R)-3-chloro-6-hydroxy-8-methoxy-alpha-lapachone|(R)-3-chloro-6-hydroxy-8-methoxy-alpha-lapachone
SAXAKIN
5-O-Cinnamoylquinic acid
(E)-5-O-Cinnamoylquinic acid is the isomer of 5-O-Cinnamoylquinic acid. 5-O-Cinnamoylquinic acid is a co-pigment. 5-O-Cinnamoylquinic acid could form the stable blue solution to clarify the mechanism of blue sepal-color development of hydrangea[1][2].
methyl 3,7,8-trihydroxy-3-methyl-10-oxo-1,4-dihydropyrano[4,3-b]chromene-9-carboxylate
3,8-dihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
3,8-dihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione [IIN-based: Match]
3,8-dihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione [IIN-based on: CCMSLIB00000847997]
Cys Gly Gly Ser
C10H18N4O6S (322.09470080000006)
Cys Gly Ser Gly
C10H18N4O6S (322.09470080000006)
Cys Ser Gly Gly
C10H18N4O6S (322.09470080000006)
Gly Cys Gly Ser
C10H18N4O6S (322.09470080000006)
Gly Cys Ser Gly
C10H18N4O6S (322.09470080000006)
Gly Gly Cys Ser
C10H18N4O6S (322.09470080000006)
Gly Gly Ser Cys
C10H18N4O6S (322.09470080000006)
Gly Ser Cys Gly
C10H18N4O6S (322.09470080000006)
Gly Ser Gly Cys
C10H18N4O6S (322.09470080000006)
Ser Cys Gly Gly
C10H18N4O6S (322.09470080000006)
Ser Gly Cys Gly
C10H18N4O6S (322.09470080000006)
Ser Gly Gly Cys
C10H18N4O6S (322.09470080000006)
Chileninone
C19H16NO4+ (322.10792760000004)
4-(3,4-dihydroxyphenyl)-2,3-dihydroxy-2,3-dihydro-1H-phenalen-1-one
L-gamma-Glutamyl-S-allylthio-L-cysteine
GN25
C15H14O6S (322.05110640000004)
GN25 is a specific p53-Snail binding inhibitor with antitumor effects[1].
16-bromo-7E,15E-hexadecadien-5,13-diynoic acid
C16H19BrO2 (322.05683339999996)
2-OXO-2H,5H-1,6-DIOXA-BENZO[C]PHENANTHRENE-3-CARBOXYLIC ACID ETHYL ESTER
BENZYL 2,6-DIAZASPIRO[3.3]HEPTANE-2-CARBOXYLATE OXALATE
2-CHLORO-N-(4-CHLORO-2-((HYDROXYIMINO)(PHENYL)METHYL)PHENYL)ACETAMIDE
(R)-2-[[2-(4-nitrophenyl ethyl] aMino]-1-phenyl ethanol Monohydrochloride
methyl 4-(methylsulfonamidomethyl)-2-sulfamoylbenzoate
3-PHENYL-1-(PYRIDIN-2-YL)BENZO[4,5]FURO[3,2-C]PYRIDINE
1-(3-AMINO-4-CHLOROBENZENESULFONYL)-1,2,3,4-TETRAHYDROQUINOLINE
(3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one
C14H15F5N2O (322.11044799999996)
(2S,4S)-PROPYL 6-FLUORO-2,5-DIOXOSPIRO[CHROMAN-4,4-IMIDAZOLIDINE]-2-CARBOXYLATE
5-(2,3-DIHYDRO-BENZO[1,4]DIOXIN-6-YL)-2-PHENYL-2H-PYRAZOLE-3-CARBOXYLIC ACID
4-[(2,5-DIOXOTETRAHYDRO-1H-IMIDAZOL-4-YLIDEN)METHYL]PHENYL 3-CHLORO-2,2-DIMETHYLPROPANOATE
C15H15ClN2O4 (322.07203000000004)
1-FLUORO-4-HYDROXY-1,4-DIAZONIABICYCLO[2.2.2]OCTANE BIS(TETRAFLUOROBORATE)
C6H13B2F9N2O (322.10702159999994)
3-(2,4-dimethoxyphenyl)-7-(trifluoromethyl)-1H-indazole
2-[4-NITRO-2-(TRIFLUOROMETHYL)PHENYL]-1,2,3,4-TETRAHYDROISOQUINOLINE
Methyl 4-hydroxy-6,7-dimethoxy-5-(methoxymethoxy)-2-naphthoate
bis(2-methacryloxyethyl) phosphate
C12H19O8P (322.08175040000003)
methyl 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoate
Acetamide,N,N-(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis-
1,4-BIS(CHLOROMETHYLDIMETHYLSILYLOXY)BENZENE
C12H20Cl2O2Si2 (322.03788399999996)
N-[2-butyl-3-[4-(3-butylaMino) propoxy]benzoyl]-5-benzofuranyl] MethanesulfonaMide
BW-723C86
BW-723C86 is a potent and a selective 5-HT2B receptor agonist. BW-723C86 exhibits anxiolytic-like actions. BW-723C86 also causes hyperphagia and reduced grooming in rats[1][2][3].
3-[(4-methoxyphenyl)methyl]-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-chloro-2-(3-chloro-4-methoxyphenyl)-5-methoxyindazole
3-(4-CYANO-BENZENESULFONYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1-[(4-METHYLPHENYL)SULFONYL]-1H-INDOL-5-AMINIUM CHLORIDE
2-(2-[[(4-CHLOROPHENYL)THIO]METHYL]PHENOXY)ETHANOHYDRAZIDE
2-[3-(Ethoxycarbonyl)piperidin-1-yl]-5-nitrobenzoic acid
1,3-DI-O-ACETYL-2-DEOXY-5-O-BENZOYL-L-ERYTHRO-PENTOFURANOSE
4-(3-ethoxycarbonylpiperidin-1-yl)-3-nitrobenzoic acid
1-(METHYLSULFONYL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLO[2,3-B]PYRIDINE
C14H19BN2O4S (322.11585240000005)
2-(2-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborine
2-(3-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborine
2-(4-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborine
3-(2-CYANO-BENZENESULFONYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(3-CYANO-BENZENESULFONYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-(2,4-DIMETHYLPHENYL)-1-MERCAPTO[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-5(4H)-ONE
Carbazochrome sodium sulfonate (AC-17)
Carbazochrome sodium sulfonate (AC-17) is a capillary stabiliser and used for the research of haemorrhage. Carbazochrome sodium sulfonate is an antihemorrhagic agent[1].
5-O-Benzoyl-1,2-di-O-acetyl-3-deoxy-D-ribofuranose
1-Fluoro-4-hydroxy-1,4-diazoniabicyclo[2,2,2]octane bis(tetrafluoroborate)
C6H13B2F9N2O (322.10702159999994)
4-(3-NITRO-BENZENESULFONYLAMINO)-BENZOIC ACID
C13H10N2O6S (322.02595600000006)
sodium,2-hydroxybenzoate,[(E)-(3-hydroxy-1-methyl-6-oxo-2,3-dihydroindol-5-ylidene)amino]urea
3-Oxo-3H,12H-4,11-dioxa-chrysene-2-carboxylic acid ethyl ester
BIS(TRIMETHYLSILYL)TRIFLUORO ACETYL PHOSPHONATE
C8H18F3O4PSi2 (322.04333139999994)
Ethyl 1-benzyl-4-bromo-3-methyl-1H-pyrazole-5-carboxylate
Ethyl 1-benzyl-4-bromo-5-methyl-1H-pyrazole-3-carboxylate
2-Acetamido-4,6-O-benzylidene-2-deoxy-D-gluconhydroximo-1,5-lactone
4-(2,3-DIMETHYLPHENYL)-1-MERCAPTO[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-5(4H)-ONE
3-(1,3-difluoropropan-2-yloxy)-5-phenylmethoxybenzoic acid
3,3-Dimethyl-6-((2,2-dimethyl-1-oxopropyl)amino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid monosodium salt
C13H19N2NaO4S (322.09631740000003)
ethyl 5-(4-bromophenyl)-1-ethylpyrazole-3-carboxylate
Thiourea, N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-N-(2-methylpropyl)- (9CI)
ethyl (E)-3-(2-chlorophenyl)-2-[(1,3-thiazol-2-ylamino)methyl]prop-2-enoate
methyl 3-hydroxy-5-(4-methylsulfonylphenoxy)benzoate
C15H14O6S (322.05110640000004)
N,N-(9,10-dihydro-9,10-dioxo-1,8-anthracenediyl)bisacetamide
2-Hydroxy-5-[(4-sulfophenyl)diazenyl]benzoic acid
C13H10N2O6S (322.02595600000006)
1,3-Bis-[(chloromethyl)dimethylsiloxy]benzene
C12H20Cl2O2Si2 (322.03788399999996)
6-(2-Chloro-5-fluoro-4-pyrimidinyl)-4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazole
2-Amino-6-bromo-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7(8H)-one
(2-Fluorophenyl)(1-piperazinyl)methanone trifluoroacetate (1:1)
C13H14F4N2O3 (322.09405019999997)
(4-fluorophenyl)(2-(piperazin-1-yl)pyrimidin-5-yl)methanone hydrochloride
2-CHLORO-N-(4-(PYRIDIN-4-YLMETHYL)PHENYL)BENZAMIDE
tert-Butyl 3-(4-bromophenyl)-1H-pyrazole-1-carboxylate
5-Bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
C13H16BBrN2O2 (322.04881259999996)
(5-BROMO-ISOQUINOLIN-1-YL)-CARBAMIC ACID TERT-BUTYL ESTER
2-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoic acid
iron(2+),6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
C16H14FeN2O2 (322.04046139999997)
2-benzofuran-1,3-dione,furan-2,5-dione,propane-1,2-diol
4-[3-(4-Chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine
(5-Chloropyrazolo[1,5-A]pyrimidin-7-YL)-(4-methanesulfonylphenyl)amine
7,8-Dihydroxy-1-methoxy-3-methyl-10-oxo-4,10-dihydro-1H,3H-pyrano[4,3-B]chromene-9-carboxylic acid
An organic heterotricyclic compound that is 4,10-dihydro-1H,3H-pyrano[4,3-b]chromene substituted by hydroxy groups at positions 7 and 8, a methoxy group at position 1, a methyl group at position 3, an oxo group at position 10 and a carboxy group at position 9. Isolated from Chaetomium funicola it exhibits inhibitory activity against metallo-beta-lactamases.
Zolazepam hydrochloride
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
UMP dianion
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(2S)-2-(2-(3-Hydroxy-2-oxoindolin-3-yl)acetamido)succinic acid
N-(6-Chloro-9h-pyrido[3,4-b]indol-8-yl)-3-pyridinecarboxamide
Strobilurin B
An enoate ester that is the methyl ester of (2E,3Z,5E)-6-(4-chloro-3-methoxyphenyl)-2-(methoxymethylene)-3-methylhexa-3,5-dienoic acid. D010575 - Pesticides > D005659 - Fungicides, Industrial > D000073739 - Strobilurins D016573 - Agrochemicals
P-Fluoro Nygerone B
C19H15FN2O2 (322.11175019999996)
A member of the class of 4-pyridones that is nygerone B in which the N-phenyl substituent has been fluorinated at the para position. It has been isolated from Aspergillus niger ATCC 1015.
1-Methyl-5-((4-methylpiperidin-1-yl)sulfonyl)indoline-2,3-dione
N-(2-methoxy-4-nitrophenyl)-2-[(1-methyl-2-imidazolyl)thio]acetamide
C13H14N4O4S (322.07357240000005)
N-(4-chloro-2,5-dimethoxyphenyl)-5-cyclopropyl-3-isoxazolecarboxamide
C15H15ClN2O4 (322.07203000000004)
4-[(3-Methylphenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylic acid
4-(1,3-Benzodioxol-5-ylhydrazinylidene)-5-imino-1-phenyl-3-pyrazolamine
10-(3-Aminopropyl)-8-chlorophenothiazine-2,3-diol
D004791 - Enzyme Inhibitors > D000067956 - Adenylyl Cyclase Inhibitors
1-[7-(2,4-Dichlorophenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
4-[[1-Oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid ethyl ester
1-(2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
N-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
2-Amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid
C11H19N2O7P (322.09298340000004)
2,3-Dimethoxy-12H-[1,3]dioxolo[5,6]indeno[1,2-C]isoquinolin-6-ium
C19H16NO4+ (322.10792760000004)
D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059004 - Topoisomerase I Inhibitors D004791 - Enzyme Inhibitors
Tazobactam sodium
An organic sodium salt having tazobactam(1-) as the counterion; used in combination with ceftolozane sulfate for treatment of complicated intra-abdominal infections and complicated urinary tract infections. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D065093 - beta-Lactamase Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C2140 - Adjuvant > C183118 - Beta-lactamase Inhibitor D004791 - Enzyme Inhibitors
digallate
D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors
Gallic acid 3-O-gallate
Digallic acid is a polyphenolic compound found in Pistacia lentiscus. Digallic acid is also present in the molecule of tannic acid. Digalloyl esters involve either -meta or -para depside bonds. [Wikipedia]
[3-Hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
7,8-dihydroxy-1-methoxy-3-methyl-10-oxo-3,4-dihydro-1H-pyrano[4,3-b]chromene-9-carboxylic acid
(2S)-2-amino-4-(hydroxymethylphosphinyl)butanoyl-L-alanyl-L-alanine
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
2-O-(4-deoxy-beta-L-threo-hex-4-enopyranuronosyl)-alpha-L-rhamnopyranose
2-Oxo-3-(phosphooxy)propyl 7-methyl-3-oxooctanoate
C12H19O8P-2 (322.08175040000003)
[4-[(3S)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]phenyl] hydrogen sulfate
C15H14O6S (322.05110640000004)
[(3S,4R)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl dihydrogen phosphate
[(3S,4R)-4-octanoyl-5-oxooxolan-3-yl]methyl dihydrogen phosphate
Sodium sulfate decahydrate
C78275 - Agent Affecting Blood or Body Fluid > C29730 - Electrolyte Replacement Agent D005765 - Gastrointestinal Agents > D002400 - Cathartics
(+)-3,4-dihydro-3,8-dihydroxy-3-methylbenz(a)anthracene-1,7,12(2H)-trione
4-(3-methoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione
C19H18N2OS (322.11397780000004)
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-indole-2,3-dione
(2Z)-2-(4-Methoxyphenyl)-2-(quinazolin-4-ylhydrazinylidene)acetic acid
[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]thiourea
5-(4-bromophenyl)-N,N-diethyl-3-isoxazolecarboxamide
N-(5-bromo-2-pyridinyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxamide
C15H19BrN2O (322.06806639999996)
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-2-carboxamide
C16H10N4O2S (322.05244400000004)
[2-(5-Methyl-2-thiophenyl)-4-quinolinyl]-(1-pyrrolidinyl)methanone
C19H18N2OS (322.11397780000004)
2-Pyridinecarboxylic acid [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] ester
6,7-dimethoxy-3-(2-oxolanylmethyl)-2-sulfanylidene-1H-quinazolin-4-one
2-[[5-(Phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile
(3-Methyl-1-phenyl-5-thieno[2,3-c]pyrazolyl)-(3-methyl-1-pyrazolyl)methanone
N-[2,2-dimethyl-3-[[oxo(thiophen-2-yl)methyl]amino]propyl]-2-thiophenecarboxamide
2-hydroxy-N-[(E)-(6-methyl-4-oxo-4H-chromen-3-yl)methylidene]benzohydrazide
3-(4-chlorophenyl)-5-(3-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole
2-[5-(3-chlorophenyl)furan-2-yl]quinazolin-4(3H)-one
(E)-2-(((quinolin-8-ylmethylene)amino)oxy)butyl methanesulfonate
(+/-)-Equol 4-sulfate (sodium salt)
C15H14O6S (322.05110640000004)
(2S,3R,4S)-3,4-dihydroxy-2-[(2S,3R,4R,5R,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Methyl (2E)-2-(3,5-dioxo-4-phenyloxolan-2-ylidene)-2-phenylacetate
[(3S)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl phosphate
A butan-4-olide that is (5-oxooxolan-3-yl)methyl phosphate carrying an additional 6-methylheptanoyl substituent at position 4.
{3-[3-(2-Hydroxyphenyl)propanoyl]phenyl}oxidanesulfonic acid
C15H14O6S (322.05110640000004)
[1-[(3,4-Dichlorophenyl)methyl]-2-hydroxyindol-3-yl]-oxidoazanium
Methyl 3,7,8-trihydroxy-3-methyl-10-oxo-1,4-dihydropyrano[4,3-b]chromene-9-carboxylate
2,4,7-Triacetoxy-5-isopropyl-2,4,6-cycloheptatrien-1-one
Digallic acid
D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors
3,4-dihydroxy-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy-3,4-dihydro-2H-pyran-6-carboxylic acid
4-(3,4-Dihydroxyphenyl)-2,3-dihydro-2,3-dihydroxy-1H-phenalen-1-one
flavan-3,3,4,4,5,5,7-heptol
A flavanol that is 3,4-dihydro-2H-chromene which is substituted at positions 3, 4, 5, and 7 by hydroxy groups, and at position 2 by a 3,4,5-trihydroxyphenyl group.
uridine 5-monophosphate(2-)
A pyrimidine nucleoside 5-monophosphate(2-) that results from the removal of two protons from the phosphate group of UMP.
Ribavirin 5-monophosphate(2-)
C8H11N4O8P (322.03144960000003)
An organophosphate oxoanion resulting from the removal of both protons from the phosphate group of ribavirin 5-monophosphate. It is the major species at pH 7.3.
3-UMP(2-)
A nucleoside 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of uridine 3-monophosphate (UMP). It is the predominant species at physiological pH.
Pseudouridine 5-phosphate(2-)
An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of pseudouridine 5-phosphate; major species at pH 7.3.
(2R,3S,4S)-leucodelphinidin
A flavan-3,3,4,4,5,5,7-heptol that has (2R,3S,4S) configuration.
Adenosine receptor antagonist 3
Adenosine receptor antagonist 3 is a potent antagonist of adenosine receptor. Adenosine receptor antagonist 3 has the potential for the research of cancer disease (extracted from patent WO2019233994A1, compound 1)[1].
Azvudine (hydrochloride)
Azvudine (RO-0622) hydrochloride is a potent nucleoside reverse transcriptase inhibitor (NRTI), with antiviral activity on HIV, HBV and HCV. Azvudine hydrochloride exerts highly potent inhibition on HIV-1 (EC50s ranging from 0.03 to 6.92 nM) and HIV-2 (EC50s ranging from 0.018 to 0.025 nM). Azvudine hydrochloride inhibits NRTI-resistant viral strains[1]. Azvudine (hydrochloride) is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. Strain-promoted alkyne-azide cycloaddition (SPAAC) can also occur with molecules containing DBCO or BCN groups.
Oxotremorine M (iodide)
Oxotremorine M iodide is a potent and non-selective muscarinic acetylcholine receptor (mAChR) agonist. Oxotremorine M iodide potentiates NMDA receptors by muscarinic receptor dependent and independent mechanisms[1].