Exact Mass: 189.9669
Exact Mass Matches: 189.9669
Found 332 metabolites which its exact mass value is equals to given mass value 189.9669,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Oxalosuccinic acid
Oxalosuccinic acid, also known as oxalosuccinate or 1-oxopropane-1,2,3-tricarboxylate, belongs to tricarboxylic acids and derivatives class of compounds. Those are carboxylic acids containing exactly three carboxyl groups. Oxalosuccinic acid is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Oxalosuccinic acid can be found in a number of food items such as japanese chestnut, poppy, wax apple, and hyssop, which makes oxalosuccinic acid a potential biomarker for the consumption of these food products. Oxalosuccinic acid exists in all living species, ranging from bacteria to humans. Oxalosuccinic acid/oxalosuccinate is an unstable 6-carbon intermediate in the tricarboxylic acid cycle. Its an alpha-keto compound, formed during the oxidative decarboxylation of isocitrate to alpha-ketoglutarate, which is catalyzed by the enzyme isocitrate dehydrogenase. Oxalosuccinate never leaves the active site of the enzyme, however; its unstable and immediately undergoes decarboxylation to produce the 5-carbon compound, alpha-ketoglutarate . Oxalosuccinate is a substrate for cytoplasmic Isocitrate dehydrogenase and mitochondiral Isocitrate dehydrogenase (mitochondrial).
Bromobenzene-2,3-dihydrodiol
This compound belongs to the family of Cyclic Alcohols and Derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group.
Bromobenzene-3,4-dihydrodiol
This compound belongs to the family of Cyclic Alcohols and Derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group.
Catechol sulfate
Pyrocatechol sulfate, also known as 1,2-benzenediol mono(hydrogen sulfate) and 2-aminophenol sulfate, is classified as a member of the class of compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. Pyrocatechol sulfate is considered to be slightly soluble (in water) and an extremely strong acidic compound. Pyrocatechol sulfate is a benzoxazinoid metabolite. It is a potential urinary biomarker of whole grain intake (PMID: 27805021). Pyrocatechol sulfate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=4918-96-1 (retrieved 2024-10-16) (CAS RN: 4918-96-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
3-Hydroxy-4-aminopyridine sulfate
3-Hydroxy-4-aminopyridine sulfate is a metabolite of dalfampridine. 4-Aminopyridine (fampridine, dalfampridine) is an organic compound with the chemical formula C5H4N–NH2. The molecule is one of the three isomeric amines of pyridine. It is used primarily as a research tool, in characterizing subtypes of potassium channel, and has also been used to manage some of the symptoms of multiple sclerosis, and is indicated for symptomatic improvement of walking in adults with several variations of the disease. (Wikipedia)
Hydroquinone sulfate
Hydroquinone sulfate, also known as quinol sulfate, is a member of the class of compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group.
2,5-Dihydroxybenzenesulfonic Acid
D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics
oxalosuccinate
Oxalosuccinic acid, also known as oxalosuccinate or 1-oxopropane-1,2,3-tricarboxylate, belongs to tricarboxylic acids and derivatives class of compounds. Those are carboxylic acids containing exactly three carboxyl groups. Oxalosuccinic acid is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Oxalosuccinic acid can be found in a number of food items such as japanese chestnut, poppy, wax apple, and hyssop, which makes oxalosuccinic acid a potential biomarker for the consumption of these food products. Oxalosuccinic acid exists in all living species, ranging from bacteria to humans. Oxalosuccinic acid/oxalosuccinate is an unstable 6-carbon intermediate in the tricarboxylic acid cycle. Its an alpha-keto compound, formed during the oxidative decarboxylation of isocitrate to alpha-ketoglutarate, which is catalyzed by the enzyme isocitrate dehydrogenase. Oxalosuccinate never leaves the active site of the enzyme, however; its unstable and immediately undergoes decarboxylation to produce the 5-carbon compound, alpha-ketoglutarate .
2,4-DICHLOROBENZOIC ACID
A chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 2 and 4 are substituted by chloro groups.
3-hydroxy-5-oxo-tetrahydro-furan-2,3-dicarboxylic acid
Garcinia lactone
(+)-garcinia acid is a butan-4-olide and a hydroxy carboxylic acid. It has a role as a metabolite. Hydroxycitric acid lactone is a natural product found in Garcinia gummi-gutta and Garcinia cowa with data available. See also: Garcinia gummi-gutta fruit (part of). A natural product found in Garcinia cambogia. (-)-Hydroxycitric acid lactone (Garcinia lactone) is an anti-obesity agent and a popular weight loss food supplement. (-)-Hydroxycitric acid lactone is a potent inhibitor of ATP-citrate lyase. (-)-Hydroxycitric acid lactone catalyzes the extramitochondrial cleavage of citrate to oxaloacetate and acetyl-CoA, limits the availability of acetyl-CoA units required for fatty acid synthesis[1][2]. (-)-Hydroxycitric acid lactone (Garcinia lactone) is an anti-obesity agent and a popular weight loss food supplement. (-)-Hydroxycitric acid lactone is a potent inhibitor of ATP-citrate lyase. (-)-Hydroxycitric acid lactone catalyzes the extramitochondrial cleavage of citrate to oxaloacetate and acetyl-CoA, limits the availability of acetyl-CoA units required for fatty acid synthesis[1][2]. (-)-Hydroxycitric acid lactone (Garcinia lactone) is an anti-obesity agent and a popular weight loss food supplement. (-)-Hydroxycitric acid lactone is a potent inhibitor of ATP-citrate lyase. (-)-Hydroxycitric acid lactone catalyzes the extramitochondrial cleavage of citrate to oxaloacetate and acetyl-CoA, limits the availability of acetyl-CoA units required for fatty acid synthesis[1][2]. (-)-Hydroxycitric acid lactone (Garcinia lactone) is an anti-obesity agent and a popular weight loss food supplement. (-)-Hydroxycitric acid lactone is a potent inhibitor of ATP-citrate lyase. (-)-Hydroxycitric acid lactone catalyzes the extramitochondrial cleavage of citrate to oxaloacetate and acetyl-CoA, limits the availability of acetyl-CoA units required for fatty acid synthesis[1][2].
Hydroquinone sulfate
A benzenediol comprising benzene core carrying two hydroxy substituents para to each other. Hydroquinone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=123-31-9 (retrieved 2024-07-16) (CAS RN: 123-31-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
dichloroxylenol
CONFIDENCE standard compound; INTERNAL_ID 1054; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5208; ORIGINAL_PRECURSOR_SCAN_NO 5206 C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent CONFIDENCE standard compound; INTERNAL_ID 1054; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5172; ORIGINAL_PRECURSOR_SCAN_NO 5171 CONFIDENCE standard compound; INTERNAL_ID 1054; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5196; ORIGINAL_PRECURSOR_SCAN_NO 5194 CONFIDENCE standard compound; INTERNAL_ID 1054; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5242; ORIGINAL_PRECURSOR_SCAN_NO 5240 CONFIDENCE standard compound; INTERNAL_ID 1054; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5227; ORIGINAL_PRECURSOR_SCAN_NO 5226
Dobesilic acid
D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics CONFIDENCE standard compound; INTERNAL_ID 1355; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 898; ORIGINAL_PRECURSOR_SCAN_NO 897 CONFIDENCE standard compound; INTERNAL_ID 1355; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 907; ORIGINAL_PRECURSOR_SCAN_NO 905 CONFIDENCE standard compound; INTERNAL_ID 1355; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 894; ORIGINAL_PRECURSOR_SCAN_NO 893 CONFIDENCE standard compound; INTERNAL_ID 1355; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 903; ORIGINAL_PRECURSOR_SCAN_NO 902 CONFIDENCE standard compound; INTERNAL_ID 1355; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 895; ORIGINAL_PRECURSOR_SCAN_NO 894 CONFIDENCE standard compound; INTERNAL_ID 1355; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 917; ORIGINAL_PRECURSOR_SCAN_NO 916
Pyrocatechol sulfate
An aryl sulfate that is catechol with one of the two hydroxy groups substituted by a sulfo group.
Quinol sulfate
An aryl sulfate that is quinol (hydroquinone) with one of the two hydroxy groups substituted by a sulfo group.
Sulfamide, (1,2-dihydro-2-oxo-4-pyrimidinyl)- (9CI)
1H-Imidazole-4-carboxylicacid,5-(chlorocarbonyl)-2,3-dihydro-2-oxo-(9CI)
1H-Imidazole-5-carbonylchloride,1-methyl-4-(methylthio)-(9CI)
3,5-Dichlorobenzoic acid
A chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 3 and 5 are substituted by chloro groups.
(4-BOC-AMINO-PIPERIDIN-1-YL)-NAPHTHALEN-2-YL-ACETICACID
ethyl 3-(chloromethyl)-1,2,4-oxadiazole-5-carboxylate
2,5-Cyclohexadien-1-one,4-(dichloromethyl)-4-methyl-
4-chloro-2-(diMethylaMino)-1,3-thiazole-5-carbaldehyde
(2,3,3,3-TETRAFLUORO-2-(TRIFLUOROMETHOXY)PROPYL)EPOXIDE
(5-METHYL-[1,3,4]THIADIAZOL-2-YLSULFANYL)-ACETIC ACID
3-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile
6-(CHLOROMETHYL)-2-(METHYLTHIO)PYRIMIDIN-4(3H)-ONE
4-Pyrimidinecarbonylchloride,6-chloro-2-methyl-(9CI)
1-chloro-2,3,4,5,5-pentafluorocyclopenta-1,3-diene
BORONIC ACID, (5-CHLORO-3-FORMYL-2-THIENYL)- (9CI)
THIENO[3,4-B]-1,4-DIOXIN, 2-(CHLOROMETHYL)-2,3-DIHYDRO-
2,6-Dichlorobenzoic acid
A chlorobenzoic acid carrying two chloro groups at positions 2 and 6 respectively.
ethyl 5-(chloromethyl)-1,2,4-oxadiazole-3-carboxylate
Acetamide, N-(4-(chloromethyl)-2-thiazolyl)- (8CI)(9CI)
5-Chloro-2,6-dihydroxy-4-pyrimidinecarboxylic acid
2,3-Dichlorobenzoic acid
A chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 2 and 3 are substituted by chloro groups.
Sodium Urate
D020011 - Protective Agents > D000975 - Antioxidants Uric acid sodium (Monosodium urate), scavenger of oxygen radical, is a very important antioxidant that help maintains the stability of blood pressure and antioxidant stress. Uric acid sodium can remove reactive oxygen species (ROS) such as singlet oxygen and peroxynitrite, inhibiting lipid peroxidation[1][2].
METHACRYLIC ACID-SODIUM HYDROGEN SULFITE TELOMER, SODIUM SALT
Carbonochloridothioic acid, O-(3-fluorophenyl) ester (9CI)
5-Bromouracil
D009676 - Noxae > D000963 - Antimetabolites D009676 - Noxae > D009153 - Mutagens
(2R,3R)-1-Carboxy-4-chloro-2,3-dihydroxycyclohexa-4,6-diene
3-bromo-1H-1,2,4-triazole-5-carboxamide(SALTDATA: FREE)
2,4-dihydroxybenzenesulfonic Acid
A dihydroxybenzenesulfonic acid that is resorcinol in which a hydrogen para- to one of the hydroxy groups is replaced by a sulfonic acid group.
2,6-Dihydroxybenzenesulfonic acid
A dihydroxybenzenesulfonic acid that is resorcinol in which the hydrogen ortho- to both of the hydroxy groups is replaced by a sulfonic acid group.
3,5-Dihydroxybenzenesulfonic acid
A dihydroxybenzenesulfonic acid that is resorcinol in which the hydrogen meta- to both of the hydroxy groups is replaced by a sulfonic acid group.
2-(5,6-Dioxo-1,4-dioxan-2-yl)-2-hydroxyacetic acid
3-(Hydroxymethyl)-5,6-dioxo-1,4-dioxane-2-carboxylic acid
Indole-5,6-quinone-2-carboxylate
An indolecarboxylate that is the conjugate base of indole-5,6-quinone-2-carboxylic acid resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3.
(1R,6S)-3-chloro-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid
(3S,4S)-3-chloro-3,4-dihydroxycyclohexa-1,5-diene-1-carboxylic acid
(3S,4S)-5-chloro-3,4-dihydroxycyclohexa-1,5-diene-1-carboxylic acid
2-chloro-2-(3-methyl-5-oxo-2H-furan-2-yl)acetic acid
(1R,6R)-5-chloro-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid
Hydrogen isocitrate
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Oxalosuccinic acid
A tricarboxylic acid consisting of 2-oxoglutaric acid having a further carboxy group at the 3-position. It is a substrate of the citric acid cycle.
3,4-dihydroxybenzenesulfonic acid
A benzene ring substituted with a sulphonic acid group at position C-1, and hydroxy groups at C-3 and C-4.
2,3-Dihydroxybenzenesulfonic acid
A dihydroxybenzenesulfonic acid in which the hydroxy groups are located at positions 2 and 3.
2-(carboxymethyl)-2-hydroxysuccinate
A citrate(2-) that is the conjugate base of 3,4-dicarboxy-3-hydroxybutanoate.
2,5-Dihydroxybenzenesulfonic Acid
A dihydroxybenzenesulfonic acid that is hydroquinone in which one of the phenyl hydrogens is substituted by a sulfonic acid group.
3-Carboxy-3-hydroxypentanedioate
A citrate(2-) that is the dianion obtained by the deprotonation of the terminal carboxy groups of citric acid.
