Exact Mass: 190.0313
Exact Mass Matches: 190.0313
Found 500 metabolites which its exact mass value is equals to given mass value 190.0313,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
4-Nitroquinoline N-oxide
CONFIDENCE standard compound; INTERNAL_ID 2518 CONFIDENCE standard compound; INTERNAL_ID 8294 CONFIDENCE standard compound; INTERNAL_ID 37 D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
Carglumic acid
Carglumic acid is an orphan drug used for the treatment of hyperammonaemia in patients with N-acetylglutamate synthase deficiency. This rare genetic disorder results in elevated blood levels of ammonia, which can eventually cross the blood-brain barrier and cause neurologic problems, cerebral edema, coma, and death. Carglumic acid was approved by the U.S. Food and Drug Administration (FDA) on 18 March 2010. A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AA - Amino acids and derivatives C78275 - Agent Affecting Blood or Body Fluid KEIO_ID C078
3-Dehydroquinic acid
3-Dehydroquinic acid belongs to the class of organic compounds known as alpha-hydroxy acids and derivatives. These are organic compounds containing a carboxylic acid substituted with a hydroxyl group on the adjacent carbon. 3-Dehydroquinic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). In most organisms, 3-dehydroquinic acid is synthesized from D-erythrose-4-phosphate in two steps. However, archaea genomes contain no orthologs for the genes that encode these first two steps. Instead, archaeabacteria appear to utilize an alternative pathway in which 3-dehydroquinic acid is synthesized from 6-deoxy-5-ketofructose-1-phosphate and L-aspartate-semialdehyde. These two compounds are first condensed to form 2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate, which cyclizes to 3-dehydroquinic acid. From 3-dehydroquinic acid and on to chorismate, the archaeal pathway appears to be identical to the bacterial pathway. In most organisms, 3-dehydroquinate is synthesized from D-erythrose-4-phosphate in two steps . However, the genomes of the archaea contain no orthologs for the genes that encode these first two steps. Instead, archaeabacteria appear to utilize an alternative pathway in which 3-dehydroquinate is synthesized from 6-deoxy-5-ketofructose-1-phosphate and L-aspartate-semialdehyde . These two compounds are first condensed to form 2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate , which cyclizes to 3-dehydroquinate . From 3-dehydroquinate and on to chorismate , the archaeal pathway appears to be identical to the bacterial pathway [HMDB]. 3-Dehydroquinate is found in many foods, some of which are allium (onion), cashew nut, american cranberry, and common wheat.
Naphthazarin
A naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 5 and 8 are replaced by hydroxy groups. D000970 - Antineoplastic Agents
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).
L-alpha-Amino-gamma-oxalylaminobutyric acid
A monocarboxylic acid amide obtained by the formal condensation of the amino group at position 4 of L-2,4-diaminobutyric acid with the carboxy group of oxalic acid.
Ayapin
Ayapin belongs to coumarins and derivatives class of compounds. Those are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). Ayapin is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Ayapin can be found in sunflower, which makes ayapin a potential biomarker for the consumption of this food product.
8H-1,3-Dioxolo[4,5-h][1]benzopyran-8-one
8H-1,3-Dioxolo[4,5-h][1]benzopyran-8-one is found in green vegetables. 8H-1,3-Dioxolo[4,5-h][1]benzopyran-8-one is a constituent of Apium graveolens. Constituent of Apium graveolens. 8H-1,3-Dioxolo[4,5-h][1]benzopyran-8-one is found in green vegetables.
L-beta-aspartyl-L-glycine
L-beta-aspartyl-l-glycine is a proteolytic breakdown product of larger proteins. It belongs to the family of Acyl Glycines. These are organic compounds containing a glycine residue with the N-atom attached to another moiety through an N-ester bond. It is found in urine (PMID: 3782411). A dipeptide found in urine (PMID: 3782411). This is a proteolytic breakdown product of larger proteins. [HMDB]
Coumarin-4-carboxylic acid
Coumarin-4-carboxylic acid is found in herbs and spices. Coumarin-4-carboxylic acid occurs in Salvia triloba (Greek sage). Occurs in Salvia triloba (Greek sage). Coumarin-4-carboxylic acid is found in tea and herbs and spices.
6-Formylumbelliferone
6-Formylumbelliferone is found in citrus. 6-Formylumbelliferone is a constituent of Citrus medica (citron). Constituent of Citrus medica (citron). 6-Formylumbelliferone is found in citrus.
Aspartyl-Glycine
Aspartyl-Glycine is a dipeptide composed of aspartate and glycine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Nitroxoline
Nitroxoline is only found in individuals that have used or taken this drug. It is a urinary antibacterial agent active against susceptible gram-positive and gram-negative organisms commonly found in urinary tract infections. It is a fluorquinolone that is active against bacterial gyrases.This drug may also have antitumor activity by inhibition of ype 2 methionine aminopeptidase (MetAP2) protein which is involved in angiogenesis. Its antibacterial activity may stem from the metal ion complexation vital for bacterial growth. C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
Glycyl-Aspartate
Glycyl-Aspartate is a dipeptide composed of glycine and aspartate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal
5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal is found in garden tomato. 5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal is a flavouring ingredient and antioxidant. 5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal is present in tomato juice and hydrolysed vegetable protein. 5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal is a flavouring ingredient and antioxidant. It is found in tomato juice and hydrolysed vegetable protein.
2-Hydroxy-2-(2-oxopropyl)butanedioic acid
2-Hydroxy-2-(2-oxopropyl)butanedioic acid belongs to the family of Medium-chain Keto Acids and Derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain.
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)
N-carbamoylglutamic Acid
N-carbamoylglutamic Acid, also known as N-Carbamoylglutamate, is classified as a glutamic acid or a Glutamic acid derivative. Glutamic acids are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. N-carbamoylglutamic Acid is considered to be soluble (in water) and acidic
2-O-Methylascorbic acid
2-O-Methylascorbic acid (2-O-MA) is a derivative of vitamin C (ascorbic acid). The enzyme catechol-O-methyltransferase catalyzes the methylation of L-ascorbic acid into 2-O-methylascorbic acid (PMID: 7129800). 2-O-Methylascorbic acid belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom. 2-O-Methylascorbic acid has been identified in urine and was found to be higher in older women than in younger women (PMID: 28813537).
Chromocarb
C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent
5,8-Dihydroxy-1,4-naphthoquinone
D000970 - Antineoplastic Agents
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 .
3-hydroxy-5-oxo-tetrahydro-furan-2,3-dicarboxylic acid
2,4,6-decatriynedioic acid, 9CI|Deca-2,4,6-triin-disaeure|Decatriin-2,4,6-dicarbonsaeure-1,10|Octatriin-1,3,5-dicarbonsaeure-1,8
2,8-Decadiene-4,6-diynedioic acid-(E,E)-form|Deca-2t,8t-dien-4,6-diindisaeure|deca-2t,8t-diene-4,6-diynedioic acid|Decadien-2t,8t-diin-4,6-dicarbonsaeure-1,10|Decadien-2t,8t-diin-4,6-disaeure-1,10
Tetrahydro-thiopyran-2,6-dicarbonsaeure|tetrahydro-thiopyran-2,6-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].
4-Nitroquinoline 1-oxide
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
3-(Trifluoromethyl)benzoic acid
CONFIDENCE standard compound; INTERNAL_ID 531; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4456; ORIGINAL_PRECURSOR_SCAN_NO 4452 CONFIDENCE standard compound; INTERNAL_ID 531; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4463; ORIGINAL_PRECURSOR_SCAN_NO 4461 CONFIDENCE standard compound; INTERNAL_ID 531; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4428; ORIGINAL_PRECURSOR_SCAN_NO 4426 CONFIDENCE standard compound; INTERNAL_ID 531; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4454; ORIGINAL_PRECURSOR_SCAN_NO 4453 CONFIDENCE standard compound; INTERNAL_ID 531; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4452; ORIGINAL_PRECURSOR_SCAN_NO 4451 CONFIDENCE standard compound; INTERNAL_ID 531; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4437; ORIGINAL_PRECURSOR_SCAN_NO 4436
Nitroxoline
A monohydroxyquinoline in which the hydroxy group is positioned at C-8 with a nitro group trans to it at C-5. C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
Sulfamide, (1,2-dihydro-2-oxo-4-pyrimidinyl)- (9CI)
2-Amino-4,5,6,7-tetrahydrobenzothiazole Hydrochloride
Thiazolo[4,5-h]isoquinoline, 6,7,8,9-tetrahydro- (9CI)
5-amino-2-(trifluoromethyl)pyridine-4-carbaldehyde
2-Benzothiazolecarbonitrile,6-hydroxy-4-methyl-(9CI)
(2-MORPHOLIN-4-YLMETHYL-BENZOIMIDAZOL-1-YL)-ACETIC ACID
4-Oxo-4H-Pyrido[1,2-A]Pyrimidine-3-Carboxylic Acid
1-Piperazinecarboxaldehyde, 4-(chloroacetyl)- (9CI)
ethyl 3-(chloromethyl)-1,2,4-oxadiazole-5-carboxylate
4-(4-Methyl-phenyl)-1,3-dihydro-imidazole-2-thione
(2,3,3,3-TETRAFLUORO-2-(TRIFLUOROMETHOXY)PROPYL)EPOXIDE
2,2,3,3,4,4,5,5-octadeuteriohexanedioyl dichloride
4-OXO-4H-PYRIDO[1,2-A]PYRIMIDINE-2-CARBOXYLIC ACID, ETHYL ESTER
(2S-CIS)-5-(2-(DIMETHYLAMINO)ETHYL)-2,3-DIHYDRO-3-HYDROXY-2-(4-METHOXYPHENYL)-1,5-BENZOTHIAZEPIN-4(5H)-ONE
4-amino-1-methyl-1h-pyrrole-2-carboxylic acid-methyl ester hcl
3-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile
(3S-CIS)-(-)-3-PHENYLTETRAHYDROPYRROLO-[2,1-B]-OXAZOL-5(6H)-ONE
4,5-DIHYDRO[1,2,5]OXADIAZOLO[3,4-F]CINNOLIN-3-IUM-3-OLATE
6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxylic acid(SALTDATA: FREE)
methyl (5-chloromethyl-dihydrofuran-2-ylidene)acetate
Ethyl 3-amino-1H-pyrrole-2-carboxylate hydrochloride
1-(2-METHYLAMINOPROPYL)-3-ADAMANTANOLHYDROCHLORIDE
2H-Benzimidazole-2-thione,1,3-dihydro-1-(2-propenyl)-(9CI)
3-METHYL-4-METHYLENE-3,4-DIHYDROQUINAZOLINE-2(1H)-THIONE
2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
4-(4-Nitrobenzyl)piperazine-1-carboxylic acid tert-butyl ester
ethyl 5-(chloromethyl)-1,2,4-oxadiazole-3-carboxylate
1-(3-NITRO-2-PYRIDINYL)-2-PYRROLIDINECARBOXYLICACID
Benzenesulfonamide, 2-amino-5-fluoro- (7CI,8CI,9CI)
2-Oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylic acid
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].
Methyl 4-deoxy-alpha-L-threo-hex-4-enopyranosiduronic acid
5-(2-fluoropyridin-3-yl)-1H-pyrrole-3-carbaldehyde
[3-(Difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-acetic acid
N-{[4-(Chloromethyl)-1,3-thiazol-2-yl]methyl}-N,N-dimethylamine
(2R,3R)-1-Carboxy-4-chloro-2,3-dihydroxycyclohexa-4,6-diene
2-Hydroxy-2-methylpropane-1,2,3-tricarboxylic acid
2-oxo-2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetic acid
Sodium dehydroacetate
It is used as a preservative for cut or peeled squash
2-(5,6-Dioxo-1,4-dioxan-2-yl)-2-hydroxyacetic acid
3-(Hydroxymethyl)-5,6-dioxo-1,4-dioxane-2-carboxylic acid
(5-Hydroxyindol-3-yl)acetate
The indol-3-yl carboxylic acid anion formed by loss of a proton from the carboxy group of (5-hydroxyindol-3-yl)acetic acid; principal microspecies at pH 7.3
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.
1,4,5-Trihydroxy-5-hydroxymethyl-cyclohex-1-en-3-one
(2Z)-2-[2-(methylsulfanyl)ethyl]but-2-enedioic acid
(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
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3-Oxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnolin-3-ium
N-acetyl-D-methionine(1-)
A D-alpha-amino acid anion resulting from the removal of the proton from the carboxy group of N-acetyl-D-methionine.
Carglumic Acid
A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AA - Amino acids and derivatives C78275 - Agent Affecting Blood or Body Fluid
3-Dehydroquinic acid
A 4-oxo monocarboxylic acid derived from quinic acid by oxidation of the hydroxy group at position 3 to the corresponding keto group.
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.
N-carbamoylglutamic acid
A glutamic acid derivative that is glutamic acid substituted by a carbamoyl group at the nitrogen atom.
1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid
2-(carboxymethyl)-2-hydroxysuccinate
A citrate(2-) that is the conjugate base of 3,4-dicarboxy-3-hydroxybutanoate.
3-Carboxy-3-hydroxypentanedioate
A citrate(2-) that is the dianion obtained by the deprotonation of the terminal carboxy groups of citric acid.
2-hydroxy-(indol-3-yl)acetate
An indol-3-yl carboxylic acid anion resulting from the deprotonation of the carboxy group of 2-hydroxy-(indol-3-yl)acetic acid. This is a very minor tautomer; the major tautomer is the corresponding oxindole.
N-acetyl-L-methionine(1-)
An L-alpha-amino acid anion that is the conjugate base of N-acetyl-L-methionine, obtgained by deprotonation of the carboxy group.
