Exact Mass: 191.04432300000002
Exact Mass Matches: 191.04432300000002
Found 500 metabolites which its exact mass value is equals to given mass value 191.04432300000002,
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.
N-acetylmethionine
N-Acetyl-L-methionine or N-Acetylmethionine, belongs to the class of organic compounds known as N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. N-Acetylmethionine can also be classified as an alpha amino acid or a derivatized alpha amino acid. Technically, N-Acetylmethionine is a biologically available N-terminal capped form of the proteinogenic alpha amino acid L-methionine. N-acetyl amino acids can be produced either via direct synthesis of specific N-acetyltransferases or via the proteolytic degradation of N-acetylated proteins by specific hydrolases. N-terminal acetylation of proteins is a widespread and highly conserved process in eukaryotes that is involved in protection and stability of proteins (PMID: 16465618). About 85\\\\% of all human proteins and 68\\\\% of all yeast proteins are acetylated at their N-terminus (PMID: 21750686). Several proteins from prokaryotes and archaea are also modified by N-terminal acetylation. The majority of eukaryotic N-terminal-acetylation reactions occur through N-acetyltransferase enzymes or NAT’s (PMID: 30054468). These enzymes consist of three main oligomeric complexes NatA, NatB, and NatC, which are composed of at least a unique catalytic subunit and one unique ribosomal anchor. The substrate specificities of different NAT enzymes are mainly determined by the identities of the first two N-terminal residues of the target protein. The human NatA complex co-translationally acetylates N-termini that bear a small amino acid (A, S, T, C, and occasionally V and G) (PMID: 30054468). NatA also exists in a monomeric state and can post-translationally acetylate acidic N-termini residues (D-, E-). NatB and NatC acetylate N-terminal methionine with further specificity determined by the identity of the second amino acid. N-acetylated amino acids, such as N-acetylmethionine can be released by an N-acylpeptide hydrolase from peptides generated by proteolytic degradation (PMID: 16465618). In addition to the NAT enzymes and protein-based acetylation, N-acetylation of free methionine can also occur. In particular, N-Acetylmethionine can be biosynthesized from L-methionine and acetyl-CoA by the enzyme methionine N-acetyltransferase (EC 2.3.1.66). Excessive amounts N-acetyl amino acids including N-acetylmethionine (as well as N-acetylglycine, N-acetylserine, N-acetylglutamine, N-acetylglutamate, N-acetylalanine, N-acetylleucine and smaller amounts of N-acetylthreonine, N-acetylisoleucine, and N-acetylvaline) can be detected in the urine with individuals with acylase I deficiency, a genetic disorder (PMID: 16465618). Aminoacylase I is a soluble homodimeric zinc binding enzyme that catalyzes the formation of free aliphatic amino acids from N-acetylated precursors. In humans, Aminoacylase I is encoded by the aminoacylase 1 gene (ACY1) on chromosome 3p21 that consists of 15 exons (OMIM 609924). Individuals with aminoacylase I deficiency will experience convulsions, hearing loss and difficulty feeding (PMID: 16465618). ACY1 can also catalyze the reverse reaction, the synthesis of acetylated amino acids. Many N-acetylamino acids, including N-acetylmethionine are classified as uremic toxins if present in high abundance in the serum or plasma (PMID: 26317986; PMID: 20613759). Uremic toxins are a diverse group of endogenously produced molecules that, if not properly cleared or eliminated by the kidneys, can cause kidney damage, cardiovascular disease and neurological deficits (PMID: 18287557). Nutrient supplement used as a source of L-methionine. KEIO_ID A065 N-Acetyl-DL-methionine is an endogenous metabolite. N-Acetyl-L-methionine, a human metabolite, is nutritionally and metabolically equivalent to L-methionine. L-methionine is an indispensable amino acid required for normal growth and development[1].
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.
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.
N-acetyl-L-methionine
An L-methionine derivative that is L-methionine in which one of the amine hydrogens is substituted by an acetyl group. N-Acetyl-L-methionine, a human metabolite, is nutritionally and metabolically equivalent to L-methionine. L-methionine is an indispensable amino acid required for normal growth and development[1].
2,6-Pyridinedimethanol,3-hydroxy-, hydrochloride (1:1)
3-(Trimethylsilyl)-1,3-thiazolidine-2-thione
C6H13NS2Si (191.02586580000002)
4-CHLORO-2,6-DIMETHYLANILINE HYDROCHLORIDE
C8H11Cl2N (191.02685060000002)
1,2,3,4-Tetrahydro-2-oxo-quinoline-8-carboxylic acid
4-ETHOXY-2-FLUOROANILINE HYDROCHLORIDE
C8H11ClFNO (191.05131579999997)
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
1-(2-Chlorophenyl)ethanamine hydrochloride
C8H11Cl2N (191.02685060000002)
5-CHLORO-N,2-DIMETHYLANILINE HYDROCHLORIDE
C8H11Cl2N (191.02685060000002)
5-(Trifluoromethyl)pyridine-2-boronic acid
C6H5BF3NO2 (191.03654160000002)
Benzenemethanamine, 3-chloro-N-methyl-, hydrochloride
C8H11Cl2N (191.02685060000002)
3-chloro-2,6-dimethylaniline,hydrochloride
C8H11Cl2N (191.02685060000002)
4-(Trifluoromethyl)pyridine-2-boronic acid
C6H5BF3NO2 (191.03654160000002)
2-(Chloromethyl)-3,5-dimethylpyridine hydrochloride
C8H11Cl2N (191.02685060000002)
2-(Trifluoromethyl)pyridine-4-boronic acid
C6H5BF3NO2 (191.03654160000002)
2-(Trifluoromethyl)pyridine-3-boronic acid
C6H5BF3NO2 (191.03654160000002)
7-ANILINO-3-DIETHYLAMINO-6-METHYLFLUORAN
C6H4F3N3O (191.03064499999996)
N-Acetyl-D-methionine
An N-acetyl-D-amino acid in which the amino acid is D-methionine.
6-(Trifluoromethyl)pyridine-2-boronic acid
C6H5BF3NO2 (191.03654160000002)
8-oxo-7H-pyrido[2,3-d]pyridazine-5-carboxylic acid
2-OXO-1,2,3,4-TETRAHYDROQUINOLINE-3-CARBOXYLIC ACID
(S)-1-(2-Chlorophenyl)ethanamine hydrochloride
C8H11Cl2N (191.02685060000002)
2-Propenoic acid,2-cyano-3-(2-furanyl)-, ethyl ester
Pyridine,4-(3-chloropropyl)-, hydrochloride (1:1)
C8H11Cl2N (191.02685060000002)
Pyridine,3-(3-chloropropyl)-, hydrochloride (1:1)
C8H11Cl2N (191.02685060000002)
N-Acetyl-D-penicillamine
N-Acetylpenicillamine is acompounds derived from the amino acid penicillamine.
(4-HYDROXY-3-METHOXY-PHENYL)-MORPHOLIN-4-YL-METHANETHIONE
N-Methyl 4-fluoro-2-methoxyaniline hydrochloride
C8H11ClFNO (191.05131579999997)
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-(4-Fluorophenoxy)-1-ethanamine(HCl)
C8H11ClFNO (191.05131579999997)
2-Amino-4-(trifluoromethyl)pyrimidine-5-carbaldehyde
C6H4F3N3O (191.03064499999996)
2-ETHOXY-4-FLUOROANILINE HYDROCHLORIDE
C8H11ClFNO (191.05131579999997)
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
C8H11ClFNO (191.05131579999997)
2-(3-Fluorophenoxy)-1-ethanamine(HCl)
C8H11ClFNO (191.05131579999997)
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
C6H4F3N3O (191.03064499999996)
(2-FLUORO-4-METHOXYPHENYL)METHANAMINE HYDROCHLORIDE
C8H11ClFNO (191.05131579999997)
8-OXO-5,6,7,8-TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID
2-(CHLOROMETHYL)-1H-BENZO[D]IMIDAZOLE-6-CARBONITRILE
2-(4-chlorophenyl)ethanamine,hydrochloride
C8H11Cl2N (191.02685060000002)
3,4-Dihydro-4-oxo-pyrido[3,4-d]pyriMidine-2-carboxylic acid
5-(Trifluoromethyl)-3-pyridylboronic acid
C6H5BF3NO2 (191.03654160000002)
2,2,2-trifluoro-N-pyrazin-2-ylacetamide
C6H4F3N3O (191.03064499999996)
(4-amino-3-fluorophenyl)boronic acid hydrochloride
1-(2-aminoethyl)pyrimidine-2,4-dione,hydrochloride
N-Methyl-4-chlorobenzylamine Hydrochloride
C8H11Cl2N (191.02685060000002)
2-(Trifluoromethyl)pyrimidine-4-carBoxamide
C6H4F3N3O (191.03064499999996)
2-Trifluoromethyl-5-pyridineboric acid
C6H5BF3NO2 (191.03654160000002)
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-AMINO-1-(4-FLUOROPHENYL)ETHANOL HYDROCHLORIDE
C8H11ClFNO (191.05131579999997)
2-AMINO-1-(3-FLUOROPHENYL)ETHANOL HYDROCHLORIDE
C8H11ClFNO (191.05131579999997)
2-CHLOROMETHYL-IMIDAZO[1,2-A]PYRIDINE-6-CARBONITRILE
3-chloro-N,2-dimethylaniline,hydrochloride
C8H11Cl2N (191.02685060000002)
(R)-1-(3-CHLOROPHENYL)ETHANAMINE-HCl
C8H11Cl2N (191.02685060000002)
2,4-Thiazolidinedicarboxylic acid, 2-methyl-, (4R)-
SureCN668028
A nitrile that is phenylacetonitrile substituted by a carboxy and a methoxy group at positions 1 and 3 respectively.
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.).
(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.
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.
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.
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.