Exact Mass: 151.9966
Exact Mass Matches: 151.9966
Found 423 metabolites which its exact mass value is equals to given mass value 151.9966,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Xanthine
Xanthine, also known as 2,6-dioxopurine, belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety. Xanthine is also classified as an oxopurine. An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-9 is protonated. Xanthine exists in all living species, ranging from bacteria to plants to humans. In plants, several stimulants can be derived from xanthine, including caffeine, theophylline, and theobromine. Derivatives of xanthine (known collectively as xanthines) are a group of alkaloids commonly used for their effects as mild stimulants and as bronchodilators, notably in the treatment of asthma or influenza symptoms. Within humans, xanthine participates in a number of enzymatic reactions. In particular, xanthine can be biosynthesized from guanine; which is mediated by the enzyme guanine deaminase. In addition, xanthine and ribose 1-phosphate can be biosynthesized from xanthosine through the action of the enzyme purine nucleoside phosphorylase. In humans and other primates, xanthine can be converted to uric acid by the action of the xanthine oxidase enzyme. People with rare genetic disorders, specifically xanthinuria and Lesch–Nyhan syndrome, lack sufficient xanthine oxidase and cannot convert xanthine to uric acid. Individuals with xanthinuria have unusually high concentrations of xanthine in their blood and urine, which can lead to health problems such as renal failure and xanthine kidney stones. Individuals with Lesch-Nyhan syndrome have a deficiency of the enzyme hypoxanthine-guanine phosphoribosyltransferase (HGPRT). The HGPRT deficiency causes a build-up of uric acid in all body fluids. This results in both high levels of uric acid in the blood and urine, associated with severe gout and kidney problems. Neurological signs include poor muscle control and moderate intellectual disability. 9H-xanthine is an oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-9 is protonated. It has a role as a Saccharomyces cerevisiae metabolite. It is a tautomer of a 7H-xanthine. A purine base found in most body tissues and fluids, certain plants, and some urinary calculi. It is an intermediate in the degradation of adenosine monophosphate to uric acid, being formed by oxidation of hypoxanthine. The methylated xanthine compounds caffeine, theobromine, and theophylline and their derivatives are used in medicine for their bronchodilator effects. (Dorland, 28th ed) Xanthine is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Xanthine is a natural product found in Beta vulgaris, Camellia sinensis var. assamica, and other organisms with data available. Xanthine is a purine base found in most body tissues and fluids, certain plants, and some urinary calculi. It is an intermediate in the degradation of adenosine monophosphate to uric acid, being formed by oxidation of hypoxanthine. The methylated xanthine compounds caffeine, theobromine, and theophylline and their derivatives are used in medicine for their bronchodilator effects. (Dorland, 28th ed.). Xanthine is a metabolite found in or produced by Saccharomyces cerevisiae. A purine base found in most body tissues and fluids, certain plants, and some urinary calculi. It is an intermediate in the degradation of adenosine monophosphate to uric acid, being formed by oxidation of hypoxanthine. The methylated xanthine compounds caffeine, theobromine, and theophylline and their derivatives are used in medicine for their bronchodilator effects. (Dorland, 28th ed) An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-9 is protonated. Xanthine, a plant alkaloid found in tea, coffee, and cocoa, is a mild stimulant of the central nervous system. Xanthine also acts as an intermediate product on the pathway of purine degradation[1][2][3]. Xanthine, a plant alkaloid found in tea, coffee, and cocoa, is a mild stimulant of the central nervous system. Xanthine also acts as an intermediate product on the pathway of purine degradation[1][2][3]. Xanthine, a plant alkaloid found in tea, coffee, and cocoa, is a mild stimulant of the central nervous system. Xanthine also acts as an intermediate product on the pathway of purine degradation[1][2][3].
Oxypurinol
Oxipurinol is a xanthine oxidase inhibitor. Oxipurinol is potentially used for treatment of congestive heart failure. PMID: 15139781. Oxipurinol is a xanthine oxidase inhibitor. Oxipurinol is potentially used for treatment of congestive heart failure. C471 - Enzyme Inhibitor > C1637 - Xanthine Oxidase Inhibitor D004791 - Enzyme Inhibitors CONFIDENCE standard compound; INTERNAL_ID 864; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 855; ORIGINAL_PRECURSOR_SCAN_NO 853 CONFIDENCE standard compound; INTERNAL_ID 864; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 883; ORIGINAL_PRECURSOR_SCAN_NO 881 CONFIDENCE standard compound; INTERNAL_ID 864; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 893; ORIGINAL_PRECURSOR_SCAN_NO 892 CONFIDENCE standard compound; INTERNAL_ID 864; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 861; ORIGINAL_PRECURSOR_SCAN_NO 860 CONFIDENCE standard compound; INTERNAL_ID 864; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 894; ORIGINAL_PRECURSOR_SCAN_NO 892 Acquisition and generation of the data is financially supported in part by CREST/JST. Oxipurinol (Oxipurinol), the major active metabolite of Allopurinol, is an inhibitor of xanthine oxidase. Oxipurinol can be used to regulate blood urate levels and treat gout[1].
Mercaptopurine
Mercaptopurine is only found in individuals that have used or taken this drug. It is an antimetabolite antineoplastic agent with immunosuppressant properties. It interferes with nucleic acid synthesis by inhibiting purine metabolism and is used, usually in combination with other drugs, in the treatment of or in remission maintenance programs for leukemia. [PubChem]Mercaptopurine competes with hypoxanthine and guanine for the enzyme hypoxanthine-guanine phosphoribosyltransferase (HGPRTase) and is itself converted to thioinosinic acid (TIMP). This intracellular nucleotide inhibits several reactions involving inosinic acid (IMP), including the conversion of IMP to xanthylic acid (XMP) and the conversion of IMP to adenylic acid (AMP) via adenylosuccinate (SAMP). In addition, 6-methylthioinosinate (MTIMP) is formed by the methylation of TIMP. Both TIMP and MTIMP have been reported to inhibit glutamine-5-phosphoribosylpyrophosphate amidotransferase, the first enzyme unique to the de novo pathway for purine ribonucleotide synthesis. Experiments indicate that radiolabeled mercaptopurine may be recovered from the DNA in the form of deoxythioguanosine. Some mercaptopurine is converted to nucleotide derivatives of 6-thioguanine (6-TG) by the sequential actions of inosinate (IMP) dehydrogenase and xanthylate (XMP) aminase, converting TIMP to thioguanylic acid (TGMP). L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BB - Purine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents C308 - Immunotherapeutic Agent > C574 - Immunosuppressant D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents
Oxidized dithiothreitol
Oxidized dithiothreitol is part of the Ubiquinone and other terpenoid-quinone biosynthesis pathway. It is a substrate for: Vitamin K epoxide reductase complex subunit 1.
Dihydroasparagusic acid
Dihydroasparagusic acid is found in asparagus. Dihydroasparagusic acid is isolated from asparagus Asparagus officinali Isolated from asparagus Asparagus officinalis. Dihydroasparagusic acid is found in asparagus and green vegetables.
3-Sulfinylpyruvic acid
3-Sulfinylpyruvic acid is a compound found in the mammalian cysteine metabolic pathway. It is the deaminated form of cysteine sulfinic acid which subsequently spontaneously reacts to form pyruvate and release sulfur dioxide (PMID: 3925121, 6822523). It is the byproduct of oxidoreductases (EC 1.4.1.-), and aspartate transaminase (EC 2.6.1.1). It is also often associated with hepatic disease, and the presence of aspartate transaminase is used in diagnostic biochemical assays of such ailments (PMID: 17310554). b-Sulfinyl pyruvate is a putative product. It decomposes to puruvate and SO2 spontaneously. (PMID: 6822523) [HMDB]
Methyl 2-propenyl trisulfide
Constituent of Allium sativum (garlic oil) and other Allium subspecies Methyl 2-propenyl trisulfide is found in garlic, soft-necked garlic, and onion-family vegetables. Methyl 2-propenyl trisulfide is found in onion-family vegetables. Methyl 2-propenyl trisulfide is a constituent of Allium sativum (garlic oil) and other Allium species Allyl methyl trisulfide is a natural product found in Allium chinense, Mansoa alliacea, and other organisms with data available.
6,8-Dihydroxypurine
6,8-Dihydroxypurine is an endogenous nucleoside found in human fluids. Purine bases are present in higher amounts in tumor-bearing patients compared to healthy controls. DNA hypermethylation is a common finding in malignant cells and has been explored as a therapeutic target for hypomethylating agents. When chemical bonds to DNA, the DNA becomes damaged and proper and complete replication cannot occur to make the normal intended cell. A DNA adduct is an abnormal piece of DNA covalently-bonded to a cancer-causing chemical. This has shown to be the start of a cancerous cell, or carcinogenesis. DNA adducts in scientific experiments are used as bio-markers and as such are themselves measured to reflect quantitatively, for comparison, the amount of cancer in the subject. (PMID: 3506820, 17044778, 17264127, 16799933).
3,5-Dimethyl-1,2,4-trithiolane
3,5-Dimethyl-1,2,4-trithiolane is found in animal foods. 3,5-Dimethyl-1,2,4-trithiolane occurs in roast or boiled pork, beef, mutton and chicken. Also in roasted filberts and cooked potato, beans, shrimp and clam. 3,5-Dimethyl-1,2,4-trithiolane is a flavouring ingredient Occurs in roast or boiled pork, beef, mutton and chickenand is also in roasted filberts and cooked potato, beans, shrimp and clam. Flavouring ingredient. 3,5-Dimethyl-1,2,4-trithiolane is found in many foods, some of which are potato, animal foods, crustaceans, and nuts.
S-Methyl benzenecarbothioate
S-Methyl benzenecarbothioate is a flavouring agent for food Flavouring agent for foods
1,4-Dithiane-2,5-diol
1,4-Dithiane-2,5-diol is a food flavour component with meaty/toasted/sulfurous odour. Food flavour component with meaty/toasted/sulfurous odour
3-Methyl-1,2,4-trithiane
3-Methyl-1,2,4-trithiane is found in animal foods. Cysteine derived Maillard product. 3-Methyl-1,2,4-trithiane is a flavouring ingredient. 3-Methyl-1,2,4-trithiane is present in aroma of cooked beef, roasted sesame seed oil, yeast extracts and durian fruit (Durio zibethinus). 3-Methyl-1,2,4-trithiane is a cysteine derived Maillard product. used as a flavouring ingredient. It is found in aroma of cooked beef, roasted sesame seed oil, yeast extracts and durian fruit (Durio zibethinus).
5,7-Dihydro-2-methylthieno[3,4-d]pyrimidine
Cystine-derived Maillard produced 5,7-Dihydro-2-methylthieno[3,4-d]pyrimidine is a flavouring ingredient. Sweetness enhancer at low concentration (10 ppm), at higher concentration enhances root vegetable flavour in chicken broth base. Cystine-derived Maillard production Flavouring ingredient. Sweetness enhancer at low conc. (10 ppm), at higher conc. enhances root vegetable flavour in chicken broth base
2-(Allylthio)pyrazine
D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065691 - Cytochrome P-450 CYP2E1 Inhibitors
8-Azaguanine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents 8-Azaguanine is a purine analogue that shows antineoplastic activity. 8-Azaguanine functions as an antimetabolite and easily incorporates into ribonucleic acids, interfering with normal biosynthetic pathways, thus inhibiting cellular growth[1].
Cystamine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D013439 - Sulfhydryl Reagents D020011 - Protective Agents > D011837 - Radiation-Protective Agents C471 - Enzyme Inhibitor > C783 - Protease Inhibitor D004791 - Enzyme Inhibitors Cystamine is the disulfide form of the free thiol, cysteamine. Cystamine is an orally active transglutaminase (Tgase) inhibitor. Cystamine also has inhibition activity for caspase-3 with an IC50 value of 23.6 μM. Cystamine can be used for the research of severals diseases including Huntington's disease (HD) [1][2][3].
Methane sulfinothiocic acid 2-propenyl-ester
Methane sulfinothiocic acid 2-propenyl-ester is a member of the class of compounds known as sulfonyls. Sulfonyls are compounds containing the sulfonyl group, with the general structure RS(=O)2R ( R,R must not be H). Methane sulfinothiocic acid 2-propenyl-ester is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Methane sulfinothiocic acid 2-propenyl-ester can be found in soft-necked garlic, which makes methane sulfinothiocic acid 2-propenyl-ester a potential biomarker for the consumption of this food product.
Methyl-1-propenyl trisulfide
Methyl-1-propenyl trisulfide is a member of the class of compounds known as organic trisulfides. Organic trisulfides are organosulfur compounds with the general formula RSSSR (R,R=alkyl, aryl). Methyl-1-propenyl trisulfide can be found in soft-necked garlic, which makes methyl-1-propenyl trisulfide a potential biomarker for the consumption of this food product.
Methyl-cis-propenyl trisulfide
Methyl-cis-propenyl trisulfide is a member of the class of compounds known as organic trisulfides. Organic trisulfides are organosulfur compounds with the general formula RSSSR (R,R=alkyl, aryl). Methyl-cis-propenyl trisulfide can be found in garden onion, which makes methyl-cis-propenyl trisulfide a potential biomarker for the consumption of this food product.
Methylpropenyl trisulfide
Methylpropenyl trisulfide is a member of the class of compounds known as organic trisulfides. Organic trisulfides are organosulfur compounds with the general formula RSSSR (R,R=alkyl, aryl). Methylpropenyl trisulfide can be found in garden onion, which makes methylpropenyl trisulfide a potential biomarker for the consumption of this food product.
N-methylethanolamine phosphate
N-methylethanolamine phosphate is soluble (in water) and an extremely strong acidic compound (based on its pKa). N-methylethanolamine phosphate can be found in a number of food items such as sour cherry, garland chrysanthemum, swiss chard, and winged bean, which makes N-methylethanolamine phosphate a potential biomarker for the consumption of these food products.
Xanthine
COVID info from COVID-19 Disease Map, PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Xanthine, a plant alkaloid found in tea, coffee, and cocoa, is a mild stimulant of the central nervous system. Xanthine also acts as an intermediate product on the pathway of purine degradation[1][2][3]. Xanthine, a plant alkaloid found in tea, coffee, and cocoa, is a mild stimulant of the central nervous system. Xanthine also acts as an intermediate product on the pathway of purine degradation[1][2][3]. Xanthine, a plant alkaloid found in tea, coffee, and cocoa, is a mild stimulant of the central nervous system. Xanthine also acts as an intermediate product on the pathway of purine degradation[1][2][3].
cystamine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D013439 - Sulfhydryl Reagents D020011 - Protective Agents > D011837 - Radiation-Protective Agents C471 - Enzyme Inhibitor > C783 - Protease Inhibitor D004791 - Enzyme Inhibitors Cystamine is the disulfide form of the free thiol, cysteamine. Cystamine is an orally active transglutaminase (Tgase) inhibitor. Cystamine also has inhibition activity for caspase-3 with an IC50 value of 23.6 μM. Cystamine can be used for the research of severals diseases including Huntington's disease (HD) [1][2][3].
8-AZAGUANINE
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents 8-Azaguanine is a purine analogue that shows antineoplastic activity. 8-Azaguanine functions as an antimetabolite and easily incorporates into ribonucleic acids, interfering with normal biosynthetic pathways, thus inhibiting cellular growth[1].
(4-chloro-phenyl)-carbamonitrile|(4-chlorophenyl)cyanamide|4-chlorophenyl cyanamide|4-chlorophenylcyanamide|4-Cl-pcyd-H|4-ClpcydH|N-(4-chlorophenyl)cyanamide
mercaptopurine
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BB - Purine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents C308 - Immunotherapeutic Agent > C574 - Immunosuppressant D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents CONFIDENCE standard compound; INTERNAL_ID 2786 KEIO_ID M054
Xanthine
COVID info from COVID-19 Disease Map, PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; LRFVTYWOQMYALW_STSL_0180_Xanthine_0500fmol_180506_S2_LC02_MS02_265; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. Xanthine, a plant alkaloid found in tea, coffee, and cocoa, is a mild stimulant of the central nervous system. Xanthine also acts as an intermediate product on the pathway of purine degradation[1][2][3]. Xanthine, a plant alkaloid found in tea, coffee, and cocoa, is a mild stimulant of the central nervous system. Xanthine also acts as an intermediate product on the pathway of purine degradation[1][2][3]. Xanthine, a plant alkaloid found in tea, coffee, and cocoa, is a mild stimulant of the central nervous system. Xanthine also acts as an intermediate product on the pathway of purine degradation[1][2][3].
Oxipurinol
C471 - Enzyme Inhibitor > C1637 - Xanthine Oxidase Inhibitor D004791 - Enzyme Inhibitors Oxipurinol (Oxipurinol), the major active metabolite of Allopurinol, is an inhibitor of xanthine oxidase. Oxipurinol can be used to regulate blood urate levels and treat gout[1].
Phenylthiocarbamide
CONFIDENCE standard compound; INTERNAL_ID 935; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2571; ORIGINAL_PRECURSOR_SCAN_NO 2568 CONFIDENCE standard compound; INTERNAL_ID 935; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2573; ORIGINAL_PRECURSOR_SCAN_NO 2571 CONFIDENCE standard compound; INTERNAL_ID 935; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2549; ORIGINAL_PRECURSOR_SCAN_NO 2547 CONFIDENCE standard compound; INTERNAL_ID 935; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2567; ORIGINAL_PRECURSOR_SCAN_NO 2566 CONFIDENCE standard compound; INTERNAL_ID 935; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2495; ORIGINAL_PRECURSOR_SCAN_NO 2493 CONFIDENCE standard compound; INTERNAL_ID 935; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2575; ORIGINAL_PRECURSOR_SCAN_NO 2573 CONFIDENCE standard compound; INTERNAL_ID 935; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5402; ORIGINAL_PRECURSOR_SCAN_NO 5401 ORIGINAL_ACQUISITION_NO 5420; ORIGINAL_PRECURSOR_SCAN_NO 5417; CONFIDENCE standard compound; INTERNAL_ID 935; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0 CONFIDENCE standard compound; INTERNAL_ID 935; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5420; ORIGINAL_PRECURSOR_SCAN_NO 5417 CONFIDENCE standard compound; INTERNAL_ID 935; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5435; ORIGINAL_PRECURSOR_SCAN_NO 5433 CONFIDENCE standard compound; INTERNAL_ID 935; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5463; ORIGINAL_PRECURSOR_SCAN_NO 5459 CONFIDENCE standard compound; INTERNAL_ID 935; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5474; ORIGINAL_PRECURSOR_SCAN_NO 5469 CONFIDENCE standard compound; INTERNAL_ID 935; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5442; ORIGINAL_PRECURSOR_SCAN_NO 5440
Tisopurine
M - Musculo-skeletal system > M04 - Antigout preparations > M04A - Antigout preparations > M04AA - Preparations inhibiting uric acid production D018501 - Antirheumatic Agents > D006074 - Gout Suppressants C471 - Enzyme Inhibitor > C1637 - Xanthine Oxidase Inhibitor C26170 - Protective Agent > C921 - Uricosuric Agent
3a,7a-Dihydro-1H-imidazo(4,5-d)pyridazine-4,7-dione
Thieno[3,4-b]pyrazine, 5,7-dihydro-2-methyl- (9CI)
1H-1,2,3-Triazole-4-carboxylicacid,5-cyano-,methylester(9CI)
1H-Imidazole-4-carboxylicacid,2-amino-5-cyano-(9CI)
AN-2690
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
(4S,5S)-1,2-Dithiane-4,5-diol
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Hypoxanthine 3-N-oxide
An oxopurine that is 3,9-dihydro-6H-purine which is substituted by an oxo group at position 6 and in which the hydrogen attached to the nitrogen at position 3 is replaced by a hydroxy group. It is a major component of Schreckstoff, an alarm pheromone found in fish.
Xanthin
COVID info from COVID-19 Disease Map, PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Xanthine, a plant alkaloid found in tea, coffee, and cocoa, is a mild stimulant of the central nervous system. Xanthine also acts as an intermediate product on the pathway of purine degradation[1][2][3]. Xanthine, a plant alkaloid found in tea, coffee, and cocoa, is a mild stimulant of the central nervous system. Xanthine also acts as an intermediate product on the pathway of purine degradation[1][2][3]. Xanthine, a plant alkaloid found in tea, coffee, and cocoa, is a mild stimulant of the central nervous system. Xanthine also acts as an intermediate product on the pathway of purine degradation[1][2][3].
2-Amino-3-hydroxybenzoate
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
5-Aminosalicylate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D018501 - Antirheumatic Agents
(5R)-Carbapenem-3-carboxylate
A monocarboxylic acid anion that is the conjugate base of (5R)-carbapenem-3-carboxylic acid, obtained by deprotonation of the carboxy group. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
2,3-Dihydro-3-oxoanthranilate
A 4-oxo monocarboxylic acid anion that is 2,3-dihydro-3-oxo tautomer of 3-hydroxyanthranilate and results from the removal of a proton from the carboxylic acid group of 2,3-dihydro-3-oxoanthranilic acid.
3-sulfinylpyruvic acid
A pyruvic acid compound having a 3-sulfinyl substituent.
3-sulfino-L-alanine(1-)
An alpha-amino-acid anion that is the conjugate base of 3-sulfino-L-alanine, arising from deprotonation of the sulfino and carboxy groups and protonation of the amino group; major species at pH 7.3.
3-Hydroxyanthranilate
A hydroxybenzoate that is the conjugate base of 3-hydroxyanthranilic acid.
7H-xanthine
An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-7 is protonated.
Alloxanthine
A pyrazolopyrimidine that is 4,5,6,7-tetrahydro-H-pyrazolo[3,4-d]pyrimidine substituted by oxo groups at positions 4 and 6.
Propanoyl phosphate(2-)
Dianion of propanoyl phosphate arising from deprotonation of both OH groups of the phosphate.
4-methyl-1,2,3-trithiane
{"Ingredient_id": "HBIN010653","Ingredient_name": "4-methyl-1,2,3-trithiane","Alias": "AC1NSYND; 4-methyltrithiane","Ingredient_formula": "C4H8S3","Ingredient_Smile": "CC1CCSSS1","Ingredient_weight": "152.33","OB_score": "9.238447603","CAS_id": "NA","SymMap_id": "SMIT00702","TCMID_id": "14785","TCMSP_id": "MOL007617","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5,6-dioxocyclohexa-1,3-diene-1-carboxylic acid
{"Ingredient_id": "HBIN011151","Ingredient_name": "5,6-dioxocyclohexa-1,3-diene-1-carboxylic acid","Alias": "5,6-diketocyclohexa-1,3-diene-1-carboxylic acid; 5,6-dioxo-1-cyclohexa-1,3-dienecarboxylic acid","Ingredient_formula": "C7H4O4","Ingredient_Smile": "C1=CC(=O)C(=O)C(=C1)C(=O)O","Ingredient_weight": "152.1 g/mol","OB_score": "72.72437541","CAS_id": "NA","SymMap_id": "SMIT12256","TCMID_id": "NA","TCMSP_id": "MOL011336","TCM_ID_id": "NA","PubChem_id": "20154716","DrugBank_id": "NA"}
