Exact Mass: 191.0383
Exact Mass Matches: 191.0383
Found 500 metabolites which its exact mass value is equals to given mass value 191.0383,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
5-Hydroxyindoleacetic acid
5-Hydroxyindoleacetic acid, also known as 5-hydroxyindole-3-acetate or 5-HIAA, belongs to the class of organic compounds known as indole-3-acetic acid derivatives. Indole-3-acetic acid derivatives are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole. 5-Hydroxyindoleacetic acid exists in all living organisms, ranging from bacteria to humans. In humans, 5-hydroxyindoleacetic acid is a breakdown product of serotonin that is excreted in the urine and it also participates in a number of enzymatic reactions. 5-hydroxyindoleacetic acid can be biosynthesized from 5-hydroxyindoleacetaldehyde; which is catalyzed by the mitochondrial enzyme aldehyde dehydrogenase. In addition, 5-hydroxyindoleacetic acid and S-adenosylmethionine can be converted into 5-methoxyindoleacetate and S-adenosylhomocysteine through its interaction with the enzyme acetylserotonin O-methyltransferase. 5-Hydroxyindoleacetic acid is also involved in the metabolism of tryptophan. 5-Hydroxyindoleacetic acid has been found to be associated with several human diseases such as brunner syndrome, friedreichs ataxia, schizophrenia, and olivopontocerebral atrophy; 5-hydroxyindoleacetic acid has also been linked to the inborn metabolic disorder sepiapterin reductase deficiency. Elevated levels of 5-hydroxyindoleacetic acid in urine (>20 uM) are indicative of appendicitis and gastroenteritis (PMID: 11462886). Serotonin and 5-Hydroxyindoleacetic acid are produced in excess amounts by carcinoid tumors, and levels of these substances may be measured in the urine to test for carcinoid tumors (NCI). 5-Hydroxyindoleacetic acid has also been found to be a product of human gut microbiota. 5-Hydroxyindoleacetic acid (5-HIAA) is the main metabolite of serotonin in the human body. In chemical analysis of urine samples, 5-HIAA is used to determine the bodys levels of serotonin. 5-Hydroxyindole-3-acetic acid is found in many foods, some of which are pitanga, dandelion, coconut, and white cabbage. 5-Hydroxyindole-3-acetic acid is the main metabolite of serotonin or metanephrines, which can be used as a biomarker of neuroendocrine tumors.
Nitrilotriacetic acid
D064449 - Sequestering Agents > D002614 - Chelating Agents
Isosorbide Mononitrate
Isosorbide mononitrate (ISMN), sold under the names Imdur and Monoket, among others, is an organic nitrate used principally in the prophylactic treatment of angina pectoris (ischemic chest pain). ISMN is an active metabolite of isosorbide dinitrate and exerts qualitatively similar effects. Like other organic nitrates, ISMN acts as a prodrug for its active metabolite, nitric oxide, which mediates the therapeutic action of ISMN. Nitric oxide works on both arteries and veins, but predominantly veins. Nitric oxide functions by relaxing veins and reducing the central venous pressure, thereby causing venous pooling and a decrease in the venous return to the heart, thus decreasing cardiac preload (PMID: 31643263). The net effect when administering ISMN is therefore a reduced workload for the heart and an improvement in the oxygen supply/demand balance of the myocardium. ISMN is not subject to first pass metabolism in the human liver. Detectable metabolites include isosorbide, sorbitol, and 2-glucuronide of mononitrate, which are pharmacologically inactive (PMID: 1449102). Research on ISMN as a cervical ripener to reduce time at hospital to birth is supportive (PMID: 23983763). Isosorbide mononitrate is only found in individuals who have consumed or used this drug. C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases > C01DA - Organic nitrates C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D020030 - Nitric Oxide Donors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
5-Phenyl-1,3-oxazinane-2,4-dione
5-Phenyl-1,3-oxazinane-2,4-dione is a metabolite of felbamate. Felbamate (marketed under the brand name Felbatol by MedPointe) is an anti-epileptic drug used in the treatment of epilepsy. It is used to treat partial seizures (with and without generalization) in adults and partial and generalized seizures associated with Lennox-Gastaut syndrome in children. However, an increased risk of potentially fatal aplastic anemia and/or liver failure limit the drugs usage to severe refractory epilepsy. (Wikipedia)
(2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids
xi-2,3-Dihydro-2-oxo-1H-indole-3-acetic acid
xi-2,3-Dihydro-2-oxo-1H-indole-3-acetic acid is found in brassicas. xi-2,3-Dihydro-2-oxo-1H-indole-3-acetic acid is isolated from Ribes rubrum (currant), Brassica species and Helianthus annuus (sunflower). xi-2,3-Dihydro-2-oxo-1H-indole-3-acetic acid is a product of catabolism of 1H-Indole-3-acetic acid
gamma-Carboxyglutamic acid
Carboxyglutamic acid (or the conjugate base, carboxyglutamate), is an uncommon amino acid introduced into proteins by a post-translational carboxylation of glutamic acid residues. This modification is found, for example, in clotting factors and other proteins of the coagulation cascade. This modification introduces an affinity for calcium ions. In the blood coagulation cascade, Vitamin K is required to introduce gamma-carboxylation of clotting factors II, VII, IX, X and protein Z.
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid
O-Oxalylhomoserine
O-oxalylhomoserine is a member of the class of compounds known as alpha amino acids. Alpha amino acids are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). O-oxalylhomoserine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). O-oxalylhomoserine can be found in grass pea, which makes O-oxalylhomoserine a potential biomarker for the consumption of this food product.
2,3-dioxo-L-gulonate
2,3-dioxo-l-gulonate belongs to sugar acids and derivatives class of compounds. Those are compounds containing a saccharide unit which bears a carboxylic acid group. 2,3-dioxo-l-gulonate is soluble (in water) and a moderately acidic compound (based on its pKa). 2,3-dioxo-l-gulonate can be found in a number of food items such as gram bean, oriental wheat, agave, and horseradish, which makes 2,3-dioxo-l-gulonate a potential biomarker for the consumption of these food products.
2-carboxy-L-xylonolactone
2-carboxy-l-xylonolactone belongs to sugar acids and derivatives class of compounds. Those are compounds containing a saccharide unit which bears a carboxylic acid group. 2-carboxy-l-xylonolactone is soluble (in water) and a moderately acidic compound (based on its pKa). 2-carboxy-l-xylonolactone can be found in a number of food items such as apricot, mentha (mint), allspice, and hedge mustard, which makes 2-carboxy-l-xylonolactone a potential biomarker for the consumption of these food products.
L-quinate
L-quinate, also known as L-quinic acid, belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. L-quinate is very soluble (in water) and a weakly acidic compound (based on its pKa). L-quinate can be found in a number of food items such as fireweed, yellow wax bean, japanese walnut, and black cabbage, which makes L-quinate a potential biomarker for the consumption of these food products. Quinic acid is a cyclitol, a cyclic polyol, and a cyclohexanecarboxylic acid. It is a crystalline acid obtained from cinchona bark, coffee beans, and other plant products and made synthetically by hydrolysis of chlorogenic acid. Quinic acid is also implicated in the perceived acidity of coffee. It is a constituent of the tara tannins .
3-urfuryl 2-yrrolecarboxylate
Furan-3-ylmethyl 1H-pyrrole-2-carboxylate is a natural product found in Pseudostellaria heterophylla with data available.
3-Furfuryl
Furan-3-ylmethyl 1H-pyrrole-2-carboxylate is a natural product found in Pseudostellaria heterophylla with data available.
4-oxo-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
(Z)-2-(4-methoxyphenyl)ethenyl isothiocyanate|(Z)-coriandrin
6-(2-methylsulfanyl-ethyl)-[1,3]oxazinane-2-thione
5-Hydroxyindole-3-acetic acid
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids IPB_RECORD: 561; CONFIDENCE confident structure 5-Hydroxyindole-3-acetic acid is the main metabolite of serotonin or metanephrines, which can be used as a biomarker of neuroendocrine tumors.
5-Hydroxyindoleacetate
5-Hydroxyindole-3-acetic acid is the main metabolite of serotonin or metanephrines, which can be used as a biomarker of neuroendocrine tumors.
5-Hydroxyindoleacetic acid
5-Hydroxyindole-3-acetic acid is the main metabolite of serotonin or metanephrines, which can be used as a biomarker of neuroendocrine tumors.
2,6-Pyridinedimethanol,3-hydroxy-, hydrochloride (1:1)
1,2,3,4-Tetrahydro-2-oxo-quinoline-8-carboxylic acid
4,5,6,7-TETRAHYDRO-1,3-THIAZOLO[5,4-C]PYRIDIN-2-YLAMINE HYDROCHLORIDE
2,4-Triazole-3-thione,2,4-dihydro-5-methyl-4-phenyl-3H-1
2-OXO-1,2,3,4-TETRAHYDROQUINOLINE-7-CARBOXYLIC ACID
Potassium trifluoro[(pyrrolidin-1-yl)methyl]borate
Benzenemethanamine, 3-chloro-N-methyl-, hydrochloride
2-(Chloromethyl)-3,5-dimethylpyridine hydrochloride
2-Hydroxy-5-trifluoromethyl-pyridine-3-carbaldehyde
8-oxo-7H-pyrido[2,3-d]pyridazine-5-carboxylic acid
2-OXO-1,2,3,4-TETRAHYDROQUINOLINE-3-CARBOXYLIC ACID
2-Propenoic acid,2-cyano-3-(2-furanyl)-, ethyl ester
(4-HYDROXY-3-METHOXY-PHENYL)-MORPHOLIN-4-YL-METHANETHIONE
5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
deuterio 2-[bis(1,1-dideuterio-2-deuteriooxy-2-oxoethyl)amino]-2,2-dideuterioacetate
2-Amino-4-(trifluoromethyl)pyrimidine-5-carbaldehyde
2-Oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide(SALTDATA: 0.8H2O 0.06SiO2)
5-Chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
Methyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate 1-oxide
(S)-2-amino-2-(4-fluorophenyl)ethanol hydrochloride
1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine
8-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbaldehyde
(5-AMINO-2-FLUOROPHENYL)BORONIC ACID HYDROCHLORIDE
6-Benzoxazolecarboxylic acid, 2-Methyl-, Methyl ester
4-(4-methyl-3H-1,3-thiazol-2-ylidene)cyclohexa-2,5-dien-1-one
4-amino-2-(trifluoromethyl)pyrimidine-5-carbaldehyde
(2-FLUORO-4-METHOXYPHENYL)METHANAMINE HYDROCHLORIDE
8-OXO-5,6,7,8-TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID
2-(CHLOROMETHYL)-1H-BENZO[D]IMIDAZOLE-6-CARBONITRILE
3,4-Dihydro-4-oxo-pyrido[3,4-d]pyriMidine-2-carboxylic acid
(4-amino-3-fluorophenyl)boronic acid hydrochloride
1-(2-aminoethyl)pyrimidine-2,4-dione,hydrochloride
Amiphenazole
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D019141 - Respiratory System Agents
(6R-TRANS)-7-AMINO-8-OXO-3-(((1-(SULPHOMETHYL)-1H-TETRAZOL-5-YL)THIO)METHYL)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLICACID
2H-1-Benzopyran-2-one, 8-amino-7-hydroxy-4-methyl-
2-CHLOROMETHYL-IMIDAZO[1,2-A]PYRIDINE-6-CARBONITRILE
2,4-Thiazolidinedicarboxylic acid, 2-methyl-, (4R)-
2,5-Didehydro-D-gluconate
Conjugate base of 2,5-didehydro-D-gluconic acid.
SureCN668028
A nitrile that is phenylacetonitrile substituted by a carboxy and a methoxy group at positions 1 and 3 respectively.
3-Carboxy-2-(carboxymethyl)-2-hydroxypropanoate
A citrate(1-) that is the conjugate acid of 2-(carboxymethyl)-2-hydroxysuccinate.
Noreugenin(1-)
A phenolate anion obtained by deprotonation of the 7-hydroxy group of noreugenin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
3,4-Dicarboxy-3-hydroxybutanoate
A citrate(1-) that is the conjugate acid of 2-(carboxymethyl)-2-hydroxysuccinate.
(2S)-2-(carbamoylamino)-4-(methylsulfanyl)butanoate
(2R)-2-(carbamoylamino)-4-(methylsulfanyl)butanoate
4,7-Dihydroxy-5-methylcoumarin(1-)
An organic anion that is the conjugate base of 4,7-dihydroxy-5-methylcoumarin, obtained by deprotonation of the 4-hydroxy group. It is the major microspecies at pH 7.3.
(4R,5S)-2,4-dihydroxy-5-(hydroxymethyl)-3-oxooxolane-2-carboxylate
Isosorbide Mononitrate
C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases > C01DA - Organic nitrates C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D020030 - Nitric Oxide Donors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
2-hydroxy-(indol-3-yl)acetic acid
A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the hydrogen at position 2 has been replaced by a hydroxy group. This is a very minor tautomer; the major tautomer is the corresponding oxindole.
NITRILOTRIACETIC ACID
D064449 - Sequestering Agents > D002614 - Chelating Agents
gamma-carboxy-L-glutamic acid
A non-proteinogenic L-alpha-amino acid that is L-glutamic acid in which one of the gamma-hydrogens is substituted by a carboxy group.
D-galactaro-1,5-lactone(1-)
A carbohydrate acid anion that is the conjugate base of D-galactaro-1,5-lactone, obtained by deprotonation of the carboxy group; major species at pH 7.3.
5-methoxyindole-2-carboxylic acid
An indolecarboxylic acid that is indole-2-carboxylic acid carrying an additional methoxy substituent at position 5.
N-carboxy-L-methionine(2-)
An N-acyl-L-alpha-amino acid anion derived from N-carboxy-L-methionine(2-) by removal of a proton from each of the carboxy groups. Major species at pH 7.3.
(5-hydroxyindol-3-yl)acetic acid
A member of the class of indole-3-acetic acids that is indole-3-acetic acid substituted by a hydroxy group at C-5.
indole-5,6-quinone-2-carboxylic acid
An indoledione that is 1H-indole-5,6-dione substituted by a carboxy group at position 2.
2-Oxindole-3-acetic acid
A member of the class of oxindoles that is 2-oxindole carrying a carboxymethyl substituent at position 3.
gamma-carboxy-L-glutamic acid zwitterion
An amino acid zwitterion obtained from gamma-carboxy-L-glutamic acid by transfer of a proton from the alpha-carboxy group to the amino group.
2,3-Diketogulonate
A dioxo monocarboxylic acid anion that is the conjugate base of 2,3-diketogulonic acid, and the major species at pH 7.3.
3-Nitrocoumarin
3-Nitrocoumarin (3-NC) is a potent and selective Phospholipase C-γ (PLC-γ) inhibitor[1].
