Exact Mass: 169.9946
Exact Mass Matches: 169.9946
Found 493 metabolites which its exact mass value is equals to given mass value 169.9946,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Gallic acid
Gallic acid is an odorless white solid. Sinks in water. (USCG, 1999) Gallic acid is a trihydroxybenzoic acid in which the hydroxy groups are at positions 3, 4, and 5. It has a role as an astringent, a cyclooxygenase 2 inhibitor, a plant metabolite, an antioxidant, an antineoplastic agent, a human xenobiotic metabolite, an EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor, an apoptosis inducer and a geroprotector. It is a conjugate acid of a gallate. Gallic acid is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Gallic Acid is a natural product found in Visnea mocanera, Ardisia paniculata, and other organisms with data available. Gallic acid is a metabolite found in or produced by Saccharomyces cerevisiae. A colorless or slightly yellow crystalline compound obtained from nutgalls. It is used in photography, pharmaceuticals, and as an analytical reagent. See also: Gallic acid monohydrate (active moiety of); Paeonia lactiflora root (part of); Galium aparine whole (part of) ... View More ... Gallic acid is an organic acid, also known as 3,4,5-trihydroxybenzoic acid, found in gallnuts, sumac, witch hazel, tea leaves, oak bark, and other plants. The chemical formula is C6H2(OH)3CO2H. Gallic acid is widely distributed in plants and is found both free and as part of tannins. It is commonly used in the pharmaceutical industry. Gallic acid can also be used to synthesize the hallucinogenic alkaloid mescaline, also known as 3,4,5-trimethoxyphenethylamine. Salts and esters of gallic acid are termed gallates. Gallic acid has been found to be s metabolite of Aspergillus (PMID:24031294). A trihydroxybenzoic acid in which the hydroxy groups are at positions 3, 4, and 5. Present in red wine. Japan approved food antioxidant additive Gallic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=149-91-7 (retrieved 2024-07-01) (CAS RN: 149-91-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Gallic acid (3,4,5-Trihydroxybenzoic acid) is a natural polyhydroxyphenolic compound and an free radical scavenger to inhibit cyclooxygenase-2 (COX-2)[1]. Gallic acid has various activities, such as antimicrobial, antioxidant, antimicrobial, anti-inflammatory, and anticance activities[2]. Gallic acid (3,4,5-Trihydroxybenzoic acid) is a natural polyhydroxyphenolic compound and an free radical scavenger to inhibit cyclooxygenase-2 (COX-2)[1]. Gallic acid has various activities, such as antimicrobial, antioxidant, antimicrobial, anti-inflammatory, and anticance activities[2].
Diethylthiophosphate
Diethylthiophosphate, also known as DETP, belongs to the class of organic compounds known as thiophosphate diesters. These are organic compounds containing the thiophosphoric acid functional group or a derivative thereof, with the general structure ROP(OR)(OR)=S, where exactly two R-groups are organyl groups. The glutathione transferase reactions produce products that are, in most cases, of low toxicity. Diethylthiophosphate is a potentially toxic compound. Acute OP intoxication results from blockage of the decomposition of synaptic acetylcholine because the pesticide covalently binds to chlolinesterase Chronic exposure to POs has neurological sequelae as well and data suggests that OP exposure alters sperm chromatin condensation (A3181, A3182, A3183, A3181). Chronic exposure to POs has neurological sequelae as well (PMID 8179040) and data suggests that OP exposure alters sperm chromatin condensation (PMID 15050412). PON1 hydrolyzes the active metabolites in several organophosphates insecticides as well as, nerve agents such as soman, sarin, and VX. Metabolism of organophosphates occurs principally by oxidation, by hydrolysis via esterases and by reaction with glutathione. Acute OP intoxication results from blockage of the decomposition of synaptic acetylcholine because the pesticide covalently binds to chlolinesterase (PMID 11991535). Diethylthiophosphate is the most frequent metabolite of organophosphorus (OP) found in urine (PMID 15050412). Organophosphorus compounds are widely used as pesticides because of easy degradation in the environment. Acute OP intoxication results from blockage of the decomposition of synaptic acetylcholine because the pesticide covalently binds to chlolinesterase (PMID 11991535). Chronic exposure to POs has neurological sequelae as well (PMID 8179040) and data suggests that OP exposure alters sperm chromatin condensation (PMID 15050412) [HMDB] KEIO_ID D113
Dihydroxyacetone phosphate
An important intermediate in lipid biosynthesis and in glycolysis.; Dihydroxyacetone phosphate (DHAP) is a biochemical compound involved in many reactions, from the Calvin cycle in plants to the ether-lipid biosynthesis process in Leishmania mexicana. Its major biochemical role is in the glycolysis metabolic pathway. DHAP may be referred to as glycerone phosphate in older texts.; Dihydroxyacetone phosphate lies in the glycolysis metabolic pathway, and is one of the two products of breakdown of fructose 1,6-phosphate, along with glyceraldehyde 3-phosphate. It is rapidly and reversibly isomerised to glyceraldehyde 3-phosphate.; In the Calvin cycle, DHAP is one of the products of the sixfold reduction of 1,3-bisphosphoglycerate by NADPH. It is also used in the synthesis of sedoheptulose 1,7-bisphosphate and fructose 1,6-bisphosphate which are both used to reform ribulose 5-phosphate, the key carbohydrate of the Calvin cycle. Dihydroxyacetone phosphate is found in many foods, some of which are sesame, mexican groundcherry, parsley, and common wheat. [Spectral] Glycerone phosphate (exact mass = 169.99802) and beta-D-Fructose 1,6-bisphosphate (exact mass = 339.99605) and NADP+ (exact mass = 743.07545) 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. Dihydroxyacetone phosphate is an important intermediate in lipid biosynthesis and in glycolysis. Dihydroxyacetone phosphate is found to be associated with transaldolase deficiency, which is an inborn error of metabolism. Dihydroxyacetone phosphate has been identified in the human placenta (PMID: 32033212). KEIO_ID D014
Glyceraldehyde 3-phosphate
Glyceraldehyde 3-phosphate (G3P) (CAS: 591-59-3), also known as triose phosphate, belongs to the class of organic compounds known as glyceraldehyde-3-phosphates. Glyceraldehyde-3-phosphates are compounds containing a glyceraldehyde substituted at position O3 by a phosphate group. Glyceraldehyde 3-phosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). Glyceraldehyde 3-phosphate has been detected, but not quantified in, several different foods, such as sea-buckthorn berries, lingonberries, prunus (cherry, plum), quinoa, and sparkleberries. This could make glyceraldehyde 3-phosphate a potential biomarker for the consumption of these foods. Glyceraldehyde 3-phosphate is an aldotriose, an important metabolic intermediate in both glycolysis and gluconeogenesis, and in tryptophan biosynthesis. G3P is formed from fructose 1,6-bisphosphate, dihydroxyacetone phosphate (DHAP), and 1,3-bisphosphoglycerate (1,3BPG). This is the process by which glycerol (as DHAP) enters the glycolytic and gluconeogenesis pathways. Glyceraldehyde 3-phosphate (G3P) or triose phosphate is an aldotriose, an important metabolic intermediate in both glycolysis and gluconeogenesis, and in tryptophan biosynthesis. G3P is formed from Fructose-1,6-bisphosphate, Dihydroxyacetone phosphate (DHAP),and 1,3-bisphosphoglycerate, (1,3BPG), and this is how glycerol (as DHAP) enters the glycolytic and gluconeogenesis pathways. D-Glyceraldehyde 3-phosphate is found in many foods, some of which are quince, chinese cabbage, carob, and peach. Acquisition and generation of the data is financially supported in part by CREST/JST.
(S)-3-Sulfonatolactate
This compound belongs to the family of Alpha Hydroxy Acids and Derivatives. These are organic compounds containing a carboxylic acid substituted with a hydroxyl group on the adjacent carbon.
2,3,4-Trihydroxybenzoic acid
2,3,4-Trihydroxybenzoic acid is a phenol constituent of Pachysandra terminalis. 2,3,4-Trihydroxybenzoic acid, along with other phenol compounds isolated from Pachysandra terminalis, showed significant antioxidant activity (PMID: 20939276). 2,3,4-Trihydroxybenzoic acid is a hydroxybenzoic acid. 2,3,4-Trihydroxybenzoic acid is a natural product found in Betula pendula, Plinia cauliflora, and Phaseolus vulgaris with data available. 2,3,4-Trihydroxybenzoic acid is an internal standard in separation of phenolic acids by HPLC. 2,3,4-Trihydroxybenzoic acid is an internal standard in separation of phenolic acids by HPLC.
2,4,6-Trihydroxybenzoic acid
Isolated from onion skin (Allium species). 2,4,6-Trihydroxybenzoic acid is found in garden onion and onion-family vegetables. 2,4,6-Trihydroxybenzoic acid is found in garden onion. 2,4,6-Trihydroxybenzoic acid is isolated from onion skin (Allium sp. 2,4,6-Trihydroxybenzoic acid, the flavonoid metabolite, is a CDK inhibitor. 2,4,6-Trihydroxybenzoic acid can be used for the research of cancer[1].
2,5-Dimethyl-3-furanthiol acetate
2,5-Dimethyl-3-furanthiol acetate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
S-(2-Furanylmethyl) propanethioate
S-(2-Furanylmethyl) propanethioate is a flavouring ingredient. Flavouring ingredient
Benzyl methyl disulfide
Benzyl methyl disulfide is found in cocoa and cocoa products. Benzyl methyl disulfide is present in cocoa and roasted peanut. Benzyl methyl disulfide is a flavouring ingredient. Present in cocoa and roasted peanut. Flavouring ingredient. Benzyl methyl disulfide is found in cocoa and cocoa products and nuts.
(1-Hydroxy-3-oxopropan-2-yl) dihydrogen phosphate
2,3,4-Trihydroxybenzoic acid
2,3,4-Trihydroxybenzoic acid is an internal standard in separation of phenolic acids by HPLC. 2,3,4-Trihydroxybenzoic acid is an internal standard in separation of phenolic acids by HPLC.
4-Chlorophenylurea
CONFIDENCE standard compound; INTERNAL_ID 1298; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3521; ORIGINAL_PRECURSOR_SCAN_NO 3517 CONFIDENCE standard compound; INTERNAL_ID 1298; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3539; ORIGINAL_PRECURSOR_SCAN_NO 3537 CONFIDENCE standard compound; INTERNAL_ID 1298; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3522; ORIGINAL_PRECURSOR_SCAN_NO 3520 CONFIDENCE standard compound; INTERNAL_ID 1298; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3529; ORIGINAL_PRECURSOR_SCAN_NO 3527 CONFIDENCE standard compound; INTERNAL_ID 1298; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3543; ORIGINAL_PRECURSOR_SCAN_NO 3541 CONFIDENCE standard compound; INTERNAL_ID 1298; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3540; ORIGINAL_PRECURSOR_SCAN_NO 3538 CONFIDENCE standard compound; INTERNAL_ID 1298; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7570; ORIGINAL_PRECURSOR_SCAN_NO 7566 CONFIDENCE standard compound; INTERNAL_ID 1298; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7577; ORIGINAL_PRECURSOR_SCAN_NO 7574 CONFIDENCE standard compound; INTERNAL_ID 1298; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 397; ORIGINAL_PRECURSOR_SCAN_NO 393 CONFIDENCE standard compound; INTERNAL_ID 1298; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 511; ORIGINAL_PRECURSOR_SCAN_NO 507
Gallic Acid
Annotation level-1 Gallic acid (3,4,5-Trihydroxybenzoic acid) is a natural polyhydroxyphenolic compound and an free radical scavenger to inhibit cyclooxygenase-2 (COX-2)[1]. Gallic acid has various activities, such as antimicrobial, antioxidant, antimicrobial, anti-inflammatory, and anticance activities[2]. Gallic acid (3,4,5-Trihydroxybenzoic acid) is a natural polyhydroxyphenolic compound and an free radical scavenger to inhibit cyclooxygenase-2 (COX-2)[1]. Gallic acid has various activities, such as antimicrobial, antioxidant, antimicrobial, anti-inflammatory, and anticance activities[2].
DIHYDROXYACETONE PHOSPHATE
A member of the class of glycerone phosphates that consists of glycerone bearing a single phospho substituent.
Phloroglucinic acid
2,4,6-Trihydroxybenzoic acid, the flavonoid metabolite, is a CDK inhibitor. 2,4,6-Trihydroxybenzoic acid can be used for the research of cancer[1].
4-Pyrimidinecarboxylicacid,1,6-dihydro-5-hydroxy-6-oxo-,methylester(9CI)
6-Mercaptopurine monohydrate
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 6-Mercaptopurine hydrate (Mercaptopurine hydrate; 6-MP hydrate) is a purine analogue which acts as an antagonist of the endogenous purines and has been widely used as antileukemic agent and immunosuppressive agent.
2,3-Dihydro-pyrazolo[5,1-b]thiazole-6-carboxylic acid
1H-Imidazole-2-carboxylicacid,4,5-dihydro-4,5-dioxo-,ethylester(9CI)
5-Pyrimidineaceticacid, 1,2,3,4-tetrahydro-2,4-dioxo-
2,3-Dihydropyrazolo[5,1-b][1,3]thiazole-7-carboxylic acid
Acetic acid, [(5-methyl-3-isoxazolyl)amino]oxo- (9CI)
2-((6-OXO-1,6-DIHYDROPYRIDAZIN-3-YL)OXY)ACETIC ACID
6-CHLORO-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-3(2H)-ONE
5,6-DIHYDROXY-2-METHYL-PYRIMIDINE-4-CARBOXYLIC ACID
4-methyl-2,6-dioxo-3H-pyrimidine-5-carboxylic acid
4-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-5-methyl-2,6-dioxo-
ACETIC ACID 2,6-DIOXO-3,6-DIHYDRO-2H-PYRAN-4-YL ESTER
2-ethynyl trifluorotoluene(2-(trifluoromethyl)phenylacetylene)
Ethyl (1R,5R,6S)-2-thiabicyclo[3.1.0]hex-3-ene-6-carboxylate
3-chloro-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,6-trien-5-one
Dithiosalicylic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
5-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-
2-Thiophenecarboxylic acid, 3-formyl-, methyl ester
3-chloro-9-oxido-8-oxa-7-aza-9-azoniabicyclo[4.3.0]nona-2,4,6,9-tetraene
2-(3,6-DIOXO-1,2,3,6-TETRAHYDROPYRIDAZIN-4-YL)ACETIC ACID
3-Thiophenecarboxylic acid, 5-methyl-, ethyl ester
4-chloro-2-methyl-5,7-dihydrofuro[3,4-d]pyrimidine
(2E)-3-(1-methyl-1H-pyrazol-4-yl)acryloyl chloride
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-hydroxyethylidene)- (9CI)
1H,2H,3H-pyrrolo[2,3-c]pyridin-2-one hydrochloride
2-Thiophenecarboxylic acid, 5-Methyl-, ethyl ester
(4S,6S)-5,6-Dihydro-4-hydroxy-6-methylthieno[2,3-b]thiopyran-7,7-dioxide
(2,6-DIMETHYLIMIDAZO[2,1-B][1,3]THIAZOL-5-YL)METHANOL
6-Hydroxy-1-methyl-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid
2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbaldehyde
Technetium Tc 99m Pertechnetate
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D019275 - Radiopharmaceuticals
GALOP
C26170 - Protective Agent > C275 - Antioxidant Gallic acid (3,4,5-Trihydroxybenzoic acid) is a natural polyhydroxyphenolic compound and an free radical scavenger to inhibit cyclooxygenase-2 (COX-2)[1]. Gallic acid has various activities, such as antimicrobial, antioxidant, antimicrobial, anti-inflammatory, and anticance activities[2]. Gallic acid (3,4,5-Trihydroxybenzoic acid) is a natural polyhydroxyphenolic compound and an free radical scavenger to inhibit cyclooxygenase-2 (COX-2)[1]. Gallic acid has various activities, such as antimicrobial, antioxidant, antimicrobial, anti-inflammatory, and anticance activities[2].
Sn-glycerol 3-phosphate(2-)
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(4S)-4-hydroxy-3,5-dioxocyclohexene-1-carboxylic acid
(E,3E)-3-(hydroxymethylidene)-2,6-dioxohex-4-enoic acid
4-Chlorophenylacetic acid
A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 4-chlorophenyl group.
O,O-Diethyl hydrogen thiophosphate
An organic thiophosphate that is the diethyl ester of phosphorothioic O,O,O-acid.
Phloroglucinol carboxylic acid
2,4,6-Trihydroxybenzoic acid, the flavonoid metabolite, is a CDK inhibitor. 2,4,6-Trihydroxybenzoic acid can be used for the research of cancer[1].
Sn-glycerol 3-phosphate(2-)
An organophosphate oxoanion that is the dianion of sn-glycerol 3-phosphate arising from deprotonation of both phosphate OH groups.
Sn-glycerol 1-phosphate(2-)
A glycerol 1-phosphate(2-) that is the dianion of sn-glycerol 1-phosphate arising from deprotonation of both phosphate OH groups.
2-Hydroxyhepta-2,4-dienedioate
A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of 2-hydroxyhepta-2,4-dienedioic acid; major species at pH 7.3.
selenocysteinium
An alpha-amino-acid cation resulting from the protonation of the amino group of selenocysteine.
glycerol 2-phosphate(2-)
Dianion of glycerol 2-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3.
glycerol 1-phosphate(2-)
An organophosphate oxoanion that is the dianion of glycerol 1-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3.
Glyceraldehyde 3-phosphate
An aldotriose phosphate that is the 3-phospho derivative of glyceraldehyde. It is an important metabolic intermediate in several central metabolic pathways in all organisms.
2-Oxohept-4-ene-1,7-dioate
A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of 2-oxohept-4-ene-1,7-dioic acid; major species at pH 7.3.
