Exact Mass: 153.0095782
Exact Mass Matches: 153.0095782
Found 500 metabolites which its exact mass value is equals to given mass value 153.0095782,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
3-Hydroxyanthranilic acid
3-Hydroxyanthranilic acid, also known as 2-amino-3-hydroxy-benzoate or 3-ohaa, belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. Hydroxybenzoic acid derivatives are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups. 3-Hydroxyanthranilic acid is a drug. 3-Hydroxyanthranilic acid exists in all living species, ranging from bacteria to humans. Within humans, 3-hydroxyanthranilic acid participates in a number of enzymatic reactions. In particular, 3-hydroxyanthranilic acid and L-alanine can be biosynthesized from L-3-hydroxykynurenine through the action of the enzyme kynureninase. In addition, 3-hydroxyanthranilic acid can be converted into cinnavalininate through the action of the enzyme catalase. 3-Hydroxyanthranilic acid is an intermediate in the metabolism of tryptophan. In humans, 3-hydroxyanthranilic acid is involved in tryptophan metabolism. Outside of the human body, 3-hydroxyanthranilic acid has been detected, but not quantified in brassicas. This could make 3-hydroxyanthranilic acid a potential biomarker for the consumption of these foods. It is new antioxidant isolated from methanol extract of tempeh. It is effective in preventing autoxidation of soybean oil and powder, while antioxidant 6,7,4-trihydroxyisoflavone is not. D000975 - Antioxidants > D016166 - Free Radical Scavengers [Raw Data] CBA14_3-OH-anthranili_pos_30eV_1-6_01_808.txt [Raw Data] CBA14_3-OH-anthranili_neg_40eV_1-6_01_832.txt [Raw Data] CBA14_3-OH-anthranili_pos_40eV_1-6_01_809.txt [Raw Data] CBA14_3-OH-anthranili_neg_20eV_1-6_01_830.txt [Raw Data] CBA14_3-OH-anthranili_neg_10eV_1-6_01_829.txt [Raw Data] CBA14_3-OH-anthranili_pos_10eV_1-6_01_806.txt [Raw Data] CBA14_3-OH-anthranili_pos_20eV_1-6_01_807.txt [Raw Data] CBA14_3-OH-anthranili_neg_30eV_1-6_01_831.txt D020011 - Protective Agents > D000975 - Antioxidants Isolated from Brassica oleracea (cauliflower) 3-Hydroxyanthranilic acid is a tryptophan metabolite in the kynurenine pathway.
3-Sulfinoalanine
3-Sulfinoalanine or cysteinesulfinic acid is a N-methyl-D-aspartate agonist. It is a product of cysteine dioxygenase or CDO [EC 1.13.11.20]. In humans cysteine catabolism is tightly regulated via regulation of cysteine dioxygenase (CDO) levels in the liver, with the turnover of CDO protein being dramatically decreased when intracellular cysteine levels increase. This occurs in response to changes in the intracellular cysteine concentration via changes in the rate of CDO ubiquitination and degradation. Expressed at high levels in the liver with lower levels in the kidney, brain, and lung, cysteine dioxygenase catalyzes the addition of molecular oxygen to the sulfhydryl group of cysteine, yielding cysteinesulfinic acid. The oxidative catabolism of cysteine to cysteinesulfinate by CDO represents an irreversible loss of cysteine from the free amino acid pool. Once generated, cysteinesulfinate is shuttled into several pathways including hypotaurine/taurine synthesis, sulfite/sulfate production, and the generation of pyruvate. [HMDB] 3-Sulfinoalanine or cysteinesulfinic acid is an N-methyl-D-aspartate agonist. It is a product of cysteine dioxygenase or CDO (EC 1.13.11.20). In humans, cysteine catabolism is tightly regulated via regulation of cysteine dioxygenase (CDO) levels in the liver, with the turnover of CDO protein being dramatically decreased when intracellular cysteine levels increase. This occurs in response to changes in the intracellular cysteine concentration via changes in the rate of CDO ubiquitination and degradation. Expressed at high levels in the liver with lower levels in the kidney, brain, and lung, cysteine dioxygenase catalyzes the addition of molecular oxygen to the sulfhydryl group of cysteine, yielding cysteinesulfinic acid. The oxidative catabolism of cysteine to cysteinesulfinate by CDO represents an irreversible loss of cysteine from the free amino acid pool. Once generated, cysteinesulfinate is shuttled into several pathways including hypotaurine/taurine synthesis, sulfite/sulfate production, and the generation of pyruvate. [Spectral] 3-Sulfino-L-alanine (exact mass = 153.00958) and L-Isoleucine (exact mass = 131.09463) and alpha-D-Glucose 6-phosphate (exact mass = 260.02972) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. [Spectral] 3-Sulfino-L-alanine (exact mass = 153.00958) and alpha-D-Glucose 6-phosphate (exact mass = 260.02972) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. [Spectral] 3-Sulfino-L-alanine (exact mass = 153.00958) and sn-Glycerol 3-phosphate (exact mass = 172.01367) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. KEIO_ID C015 L-Cysteinesulfinic acid is a potent agonist at several rat metabotropic glutamate receptors (mGluRs) with pEC50s of 3.92, 4.6, 3.9, 2.7, 4.0, and 3.94 for mGluR1, mGluR5, mGluR2, mGluR4, mGluR6, and mGluR8, respectively[1]. L-Cysteinesulfinic acid is a potent agonist at several rat metabotropic glutamate receptors (mGluRs) with pEC50s of 3.92, 4.6, 3.9, 2.7, 4.0, and 3.94 for mGluR1, mGluR5, mGluR2, mGluR4, mGluR6, and mGluR8, respectively[1].
Mesalazine
Mesalazine is only found in individuals that have used or taken this drug. It is an anti-inflammatory agent, structurally related to the salicylates, which is active in inflammatory bowel disease. It is considered to be the active moiety of sulphasalazine. (From Martindale, The Extra Pharmacopoeia, 30th ed)Although the mechanism of action of mesalazine is not fully understood, it appears to be topical rather than systemic. Mucosal production of arachidonic acid metabolites, both through the cyclooxygenase pathways, i.e., prostanoids, and through the lipoxygenase pathways, i.e., leukotrienes and hydroxyeicosatetraenoic acids, is increased in patients with chronic inflammatory bowel disease, and it is possible that mesalazine diminishes inflammation by blocking cyclooxygenase and inhibiting prostaglandin production in the colon. A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07E - Intestinal antiinflammatory agents > A07EC - Aminosalicylic acid and similar agents D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D018501 - Antirheumatic Agents
Aminosalicylic Acid
Aminosalicylic Acid is only found in individuals that have used or taken this drug. It is an antitubercular agent often administered in association with isoniazid. The sodium salt of the drug is better tolerated than the free acid. [PubChem]There are two mechanisms responsible for aminosalicylic acids bacteriostatic action against Mycobacterium tuberculosis. Firstly, aminosalicylic acid inhibits folic acid synthesis (without potentiation with antifolic compounds). The binding of para-aminobenzoic acid to pteridine synthetase acts as the first step in folic acid synthesis. Aminosalicylic acid binds pteridine synthetase with greater affinity than para-aminobenzoic acid, effectively inhibiting the synthesis of folic acid. As bacteria are unable to use external sources of folic acid, cell growth and multiplication slows. Secondly, aminosalicylic acid may inhibit the synthesis of the cell wall component, mycobactin, thus reducing iron uptake by M. tuberculosis. J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis > J04AA - Aminosalicylic acid and derivatives D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent COVID info from PDB, Protein Data Bank KEIO_ID A129 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Salicylhydroxamic acid
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Thiocysteine
The reactive species in the phosphofructokinase modulation system could be considered thiocysteine (R-S-S-) or cystine trisulfide (R-S-S-S-R) produced from cystine in the presence of gamma-Cystathionase (CST, EC 4.4.1.1). The desulfuration reaction of cystine in vivo produces thiocysteine containing a bound sulfur atom. Persulfide generated from L-cysteine inactivates tyrosine aminotransferase. Thiocysteine is the reactive (unstable) intermediate of thiocystine which functions as a persulfide in transferring its sulfane sulfur to thiophilic acceptors. Thiocystine conversion to unstable thiocysteine is accelerated by sulfhydryl compounds, or reagents that cleave sulfur-sulfur bonds to yield sulfhydryl groups. Thiocystine is proposed as the storage form of sulfane sulfur in biological systems. Liver cytosols contain factors that produce an inhibitor of tyrosine aminotransferase in 3 steps: initial oxidation of cysteine to form cystine; desulfurization of cystine catalyzed by cystathionase to form the persulfide, thiocysteine; and reaction of thiocysteine (or products of its decomposition) with proteins to form protein-bound sulfane. (PMID: 2903161, 454618, 7287665) [HMDB] The reactive species in the phosphofructokinase modulation system could be considered thiocysteine (R-S-S-) or cystine trisulfide (R-S-S-S-R) produced from cystine in the presence of gamma-Cystathionase (CST, EC 4.4.1.1). The desulfuration reaction of cystine in vivo produces thiocysteine containing a bound sulfur atom. Persulfide generated from L-cysteine inactivates tyrosine aminotransferase. Thiocysteine is the reactive (unstable) intermediate of thiocystine which functions as a persulfide in transferring its sulfane sulfur to thiophilic acceptors. Thiocystine conversion to unstable thiocysteine is accelerated by sulfhydryl compounds, or reagents that cleave sulfur-sulfur bonds to yield sulfhydryl groups. Thiocystine is proposed as the storage form of sulfane sulfur in biological systems. Liver cytosols contain factors that produce an inhibitor of tyrosine aminotransferase in 3 steps: initial oxidation of cysteine to form cystine; desulfurization of cystine catalyzed by cystathionase to form the persulfide, thiocysteine; and reaction of thiocysteine (or products of its decomposition) with proteins to form protein-bound sulfane. (PMID: 2903161, 454618, 7287665).
Carbapenem-3-carboxylic acid
A carbapenemcarboxylic acid that is the 3-carboxy derivative of 2,3-didehydro-1-carbapenam. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
3-Amino-4-hydroxybenzoic acid
3-Amino-4-hydroxybenzoic acid is an endogenous metabolite.
o-Hydroxylaminobenzoate
An aminobenzoic acid that is benzoic acid substutited by a hydroxyamino group at position 2.
FOSAMINE
CONFIDENCE standard compound; INTERNAL_ID 723; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 617; ORIGINAL_PRECURSOR_SCAN_NO 616 CONFIDENCE standard compound; INTERNAL_ID 723; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 619; ORIGINAL_PRECURSOR_SCAN_NO 617 CONFIDENCE standard compound; INTERNAL_ID 723; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 619; ORIGINAL_PRECURSOR_SCAN_NO 615 CONFIDENCE standard compound; INTERNAL_ID 723; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 604; ORIGINAL_PRECURSOR_SCAN_NO 601 CONFIDENCE standard compound; INTERNAL_ID 723; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 612; ORIGINAL_PRECURSOR_SCAN_NO 611
nitroanisole
CONFIDENCE standard compound; INTERNAL_ID 544; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3751; ORIGINAL_PRECURSOR_SCAN_NO 3746 INTERNAL_ID 544; DATASET 20200303_ENTACT_RP_MIX506; CONFIDENCE standard compound; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3764; ORIGINAL_PRECURSOR_SCAN_NO 3760 CONFIDENCE standard compound; INTERNAL_ID 544; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3769; ORIGINAL_PRECURSOR_SCAN_NO 3768 CONFIDENCE standard compound; INTERNAL_ID 544; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3764; ORIGINAL_PRECURSOR_SCAN_NO 3760
4-Nitro-o-phenylenediamine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D009676 - Noxae > D002273 - Carcinogens
3-Aminosalicylic acid
3-Aminosalicylic acid is a derivative of salicylic acid, a common anti-inflammatory drug. [HMDB] 3-Aminosalicylic acid is a derivative of salicylic acid, a common anti-inflammatory drug.
L-Cysteinesulfinic acid
L-Cysteinesulfinic acid is a potent agonist at several rat metabotropic glutamate receptors (mGluRs) with pEC50s of 3.92, 4.6, 3.9, 2.7, 4.0, and 3.94 for mGluR1, mGluR5, mGluR2, mGluR4, mGluR6, and mGluR8, respectively[1]. L-Cysteinesulfinic acid is a potent agonist at several rat metabotropic glutamate receptors (mGluRs) with pEC50s of 3.92, 4.6, 3.9, 2.7, 4.0, and 3.94 for mGluR1, mGluR5, mGluR2, mGluR4, mGluR6, and mGluR8, respectively[1].
2-Nitro-p-cresol
2-Nitro-p-cresol belongs to the family of Nitrophenols and Derivatives. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both an hydroxyl group and a nitro group on two different ring carbon atoms.
6-Methoxy-pyridine-3-carboxylic acid
6-Methoxy-pyridine-3-carboxylic acid belongs to the family of Pyridinecarboxylic Acids and Derivatives. These are compounds containing a pyridine ring bearing a carboxylic acid group
2-Fluoroadenine
2-Fluoroadenine is a toxic purine bases. 2-Fluoroadenine has toxicity in nonproliferating and proliferating tumor cells. 2-Fluoroadenine can be used for researching anticancer[1].
(2E)-4-hydroxy-5-methyl-2-propylidene-3(2H)-furanone
(2e)-4-hydroxy-5-methyl-2-propylidene-3(2h)-furanone is soluble (in water) and a very weakly acidic compound (based on its pKa). (2e)-4-hydroxy-5-methyl-2-propylidene-3(2h)-furanone can be found in a number of food items such as lovage, black raspberry, mustard spinach, and sunflower, which makes (2e)-4-hydroxy-5-methyl-2-propylidene-3(2h)-furanone a potential biomarker for the consumption of these food products.
NMPCA
1-Methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid is from Cordyceps bassiana, which is one of Cordyceps species with anti-oxidative, anti-cancer, anti-inflammatory, anti-diabetic, anti-obesity, anti-angiogenic, and anti-nociceptive activities. 1-Methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid targets to block AP-1-mediated luciferase activity, implying it has an anti-inflammatory function[1].
1-Chlorobenzotriazole
CONFIDENCE standard compound; INTERNAL_ID 4055 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3694
5-Chlorobenzotriazole
INTERNAL_ID 481; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3764; ORIGINAL_PRECURSOR_SCAN_NO 3760 CONFIDENCE standard compound; INTERNAL_ID 481; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3764; ORIGINAL_PRECURSOR_SCAN_NO 3760 CONFIDENCE standard compound; INTERNAL_ID 481; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3775; ORIGINAL_PRECURSOR_SCAN_NO 3772 CONFIDENCE standard compound; INTERNAL_ID 481; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3732; ORIGINAL_PRECURSOR_SCAN_NO 3728 CONFIDENCE standard compound; INTERNAL_ID 481; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3769; ORIGINAL_PRECURSOR_SCAN_NO 3768 CONFIDENCE standard compound; INTERNAL_ID 481; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3757; ORIGINAL_PRECURSOR_SCAN_NO 3755 CONFIDENCE standard compound; INTERNAL_ID 481; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3755; ORIGINAL_PRECURSOR_SCAN_NO 3753 CONFIDENCE standard compound; INTERNAL_ID 481; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7673; ORIGINAL_PRECURSOR_SCAN_NO 7668 CONFIDENCE standard compound; INTERNAL_ID 481; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7714; ORIGINAL_PRECURSOR_SCAN_NO 7710 CONFIDENCE standard compound; INTERNAL_ID 2308
5-Hydroxyanthranilic acid
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
1-Methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
3-oxoethylidene-7-oxo-4-oxa-1-azabicyclo [3.2.0] heptane
Methyl 5-hydroxypicolinate
Methyl 5-hydroxypyridine-2-carboxylate is a phenolic acid that can found in the stems of Mahonia fortune. Methyl 5-hydroxypyridine-2-carboxylate exhibits NO inhibitory effects in vitro[1].
L-Cysteinesulfinic acid
L-Cysteinesulfinic acid is a potent agonist at several rat metabotropic glutamate receptors (mGluRs) with pEC50s of 3.92, 4.6, 3.9, 2.7, 4.0, and 3.94 for mGluR1, mGluR5, mGluR2, mGluR4, mGluR6, and mGluR8, respectively[1]. L-Cysteinesulfinic acid is a potent agonist at several rat metabotropic glutamate receptors (mGluRs) with pEC50s of 3.92, 4.6, 3.9, 2.7, 4.0, and 3.94 for mGluR1, mGluR5, mGluR2, mGluR4, mGluR6, and mGluR8, respectively[1].
3-Hydroxyanthranilate
3-Hydroxyanthranilic acid is a tryptophan metabolite in the kynurenine pathway.
Mesalamine
A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07E - Intestinal antiinflammatory agents > A07EC - Aminosalicylic acid and similar agents D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D018501 - Antirheumatic Agents CONFIDENCE standard compound; INTERNAL_ID 8621
3-Hydroxyanthranilic acid
An aminobenzoic acid that is benzoic acid substituted at C-2 by an amine group and at C-3 by a hydroxy group. It is an intermediate in the metabolism of the amino acid tryptophan. D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; WJXSWCUQABXPFS-UHFFFAOYSA-N_STSL_0003_3-hydroxyanthranillic acid_8000fmol_180416_S2_LC02_MS02_37; 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. 3-Hydroxyanthranilic acid is a tryptophan metabolite in the kynurenine pathway.
3-Sulfino-L-alanine
The organosulfinic acid arising from oxidation of the sulfhydryl group of L-cysteine.
Methyl 3-aminopyrazine-2-carboxylic acid
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; INCSQLZZXBPATR-UHFFFAOYSA-N_STSL_0205_Methyl 3-aminopyrazine-2-carboxylate_0125fmol_180831_S2_L02M02_25; 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.
4-Aminosalicylic acid
J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis > J04AA - Aminosalicylic acid and derivatives D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent COVID info from 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; WUBBRNOQWQTFEX-UHFFFAOYSA-N_STSL_0188_4-Aminosalicylic Acid_0125fmol_180831_S2_L02M02_81; 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.
3-Amino-4-hydroxybenzoic acid
3-Amino-4-hydroxybenzoic acid is an endogenous metabolite.
3-Amino-4-hydroxybenzoate
3-Amino-4-hydroxybenzoic acid is an endogenous metabolite.
Salicylhydroxamic acid
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
1-Methyl-6-oxo-1,6-dihydropyridine-2-carboxylic acid
1H-Pyrrole-2-carboxylic acid, 5-formyl-1-methyl- (9CI)
2H-1,2,3-Triazole-4-carboxylicacid,2-ethenyl-,methylester(9CI)
Tetramethylammonium bromide
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D005731 - Ganglionic Stimulants
4-Nitrobenzyl alcohol
A member of the class of benzyl alcohols that is benzyl alcohol substituted at the para-position by a nitro group.
1-METHYL-2-OXO-1,2-DIHYDROPYRIDINE-4-CARBOXYLIC ACID
Ethanolomine Thioglycholate
Monoethanolamine thioglycolate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=126-97-6 (retrieved 2024-08-05) (CAS RN: 126-97-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
5-METHYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXYLIC ACID
1,3-CYCLOPENTANEDICARBOXYLICACID,1-AMINO-,(1R,3S)-
{[AMINO(IMINO)METHYL]AMINO}ACETICACIDHYDROCHLORIDE
C3H8ClN3O2 (153.03050180000002)
Pyrazinecarboxamide, 3,4-dihydro-6-methyl-3-oxo- (9CI)
1,4-THIAZEPANE 1-OXIDE HYDROCHLORIDE
C5H12ClNS (153.03789419999998)
1H-Imidazo[1,2-b]pyrazole-7-carboxylicacid,2,3-dihydro-(9CI)
2-amino-4-methyl-6-oxo-3H-pyrimidine-5-carbaldehyde
4-PYRIMIDINECARBOXYLIC ACID, 2-AMINO-, METHYL ESTER
6-Methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid
(S)-Oxazolidine-4-carboxylic acid hydrochloride
C4H8ClNO3 (153.01926880000002)
1H-Azepine-3-carboxylicacid,2,3-dihydro-2-oxo-(9CI)
1H-Pyrrole-2-carboxylic acid, 4-formyl-1-methyl- (9CI)
4,5,6,7-TETRAHYDRO-2,1,3-BENZOXADIAZOL-4-ONE OXIME
tetrahydro-2H-thiopyran-4-amine hydrochloride
C5H12ClNS (153.03789419999998)
5-Methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
3-METHYL-5-(METHYLAMINO)ISOTHIAZOLE-4-CARBONITRILE
5-Methyl-6-oxo-1,6-dihydropyridine-2-carboxylic acid
2-Pyrimidinecarboxylicacid, 4-amino-, methyl ester
Pyrazinecarboxylic acid,3-amino-6-methyl- (7CI,8CI,9CI)
5-TRIFLUOROMETHYL-1,3,4-OXADIAZOL-2-YLAMINE
C3H2F3N3O (153.01499579999998)
1H-Furo[3,4-c]pyrrole-4-carboxylicacid,3,5-dihydro-(9CI)
6-Oxo-1,6-dihydropyridine-3-carboxylic acid hydrazide
1H-Pyrrole-3-carboxylicacid,5-formyl-1-methyl-(9CI)
3-Aminodihydro-2(3H)-thiophenone hydrochloride
DL-Homocysteine thiolactone hydrochloride is a cyclic amino acid derivative that exhibits root-growth inhibitory activity.
2-Oxo-1,2-dihydropyridine-4-carboxylic acid hydrazide
2,5-dihydroxybenzoate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates A dihydroxybenzoate that is the conjugate base of 2,5-dihydroxybenzoic acid; major species at pH 7.3.
2,6-Dihydroxybenzoate
A dihydroxybenzoate that is the conjugate base of 2,6-dihydroxybenzoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
4-chloro-L-threonine
C4H8ClNO3 (153.01926880000002)
A chloroamino acid that is L-threonine in which one of the hydrogens of the terminal methyl group has been replaced by a chlorine.
Dihydroxyaluminium aminoacetate
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent
3,4-dihydroxybenzoate
A dihydroxybenzoate having the two hydroxy groups located at the 3- and 4-positions.
2,3-Dihydroxybenzoate
D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents
D-3-sulfolactaldehyde(1-)
A 3-sulfolactaldehyde(1-) in which the stereocentre at position 3 has R-configuration.
2-Hydroxy-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-olate
(6S)-6-amino-5-oxocyclohexa-1,3-diene-1-carboxylic acid
2,3-Dihydro-3-oxoanthranilic acid
An oxo carboxylic acid that is the 2,3-dihydro-3-oxo tautomer of 3-hydroxyanthranilic acid.
4-Nitro-o-phenylenediamine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D009676 - Noxae > D002273 - Carcinogens
diethylphosphate(1-)
A dialkyl phosphate having ethyl as the alkyl group; major microspecies at pH 7.3
3-disulfanyl-L-alanine zwitterion
Zwitterionic form of 3-disulfanyl-L-alanine.
TCMDC-124283
2-Fluoroadenine is a toxic purine bases. 2-Fluoroadenine has toxicity in nonproliferating and proliferating tumor cells. 2-Fluoroadenine can be used for researching anticancer[1].
L-cysteine-S-dioxide
A cysteine derivative consiting of L-cysteine carrying two S-oxy-substituents.
3-Disulfanyl-L-alanine
An S-substituted L-cysteine where the S-substituent is specified as sulfanyl.