Exact Mass: 169.0500814
Exact Mass Matches: 169.0500814
Found 500 metabolites which its exact mass value is equals to given mass value 169.0500814,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Accent
C5H8NNaO4 (169.03510079999998)
One of the FLAVORING AGENTS used to impart a meat-like flavor. See also: Monosodium Glutamate (preferred); Glutamic Acid (has active moiety) ... View More ... D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents L-Glutamic acid monosodium salt acts as an excitatory transmitter and an agonist at all subtypes of glutamate receptors (metabotropic, kainate, NMDA, and AMPA). (S)-Glutamic acid shows a direct activating effect on the release of DA from dopaminergic terminals. L-Glutamic acid monosodium salt is an excitatory amino acid neurotransmitter that acts as an agonist for all subtypes of glutamate receptors (metabolic rhodophylline, NMDA, and AMPA). L-Glutamic acid monosodium salt has an agonist effect on the release of DA from dopaminergic nerve endings. L-Glutamic acid monosodium salt can be used in the study of neurological diseases[1][2][3][4][5]. L-Glutamic acid monosodium salt acts as an excitatory transmitter and an agonist at all subtypes of glutamate receptors (metabotropic, kainate, NMDA, and AMPA). (S)-Glutamic acid shows a direct activating effect on the release of DA from dopaminergic terminals.
Norepinephrine
Norepinephrine is the precursor of epinephrine that is secreted by the adrenal medulla and is a widespread central and autonomic neurotransmitter. Norepinephrine is the principal transmitter of most postganglionic sympathetic fibers and of the diffuse projection system in the brain arising from the locus ceruleus. It is also found in plants and is used pharmacologically as a sympathomimetic. Norepinephrine is elevated in the urine of people who consume bananas. Norepinephrine is also a microbial metabolite; urinary noradrenaline is produced by Escherichia, Bacillus, and Saccharomyces (PMID: 24621061). Norepinephrine is found in alcoholic beverages, banana peels and pulp (Musa paradisiaca), red plum fruit (Prunus domestica), orange pulp (Citrus sinensis), potato tubers (Solanum tuberosum), and whole purslane (Portulaca oleracea). P. oleracea is the richest of these sources. Norepinephrine has also been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). Present in banana peel and pulp (Musa paradisiaca), red plum fruit (Prunus domestica), orange pulp (Citrus sinensis), potato tubers (Solanum tuberosum) and whole purslane (Portulaca oleracea). P. oleracea is the richest of these sources. xi-Norepinephrine is found in many foods, some of which are potato, green vegetables, alcoholic beverages, and fruits.
Pyridoxine
Pyridoxine, also known vitamin B6, is commonly found in food and is used as a dietary supplement. Pyridoxine is an essential nutrient, meaning the body cannot synthesize it, and it must be obtained from the diet. Sources in the diet include fruit, vegetables, and grain. Although pyridoxine and vitamin B6 are still frequently used as synonyms, especially by medical researchers, this practice is sometimes misleading (PMID: 2192605). Technically, pyridoxine is one of the compounds that can be called vitamin B6 or it is a member of the family of B6 vitamins. Healthy human blood levels of pyridoxine are 2.1 - 21.7 ng/mL. Pyridoxine is readily converted to pyridoxal phosphate which is a coenzyme for synthesis of amino acids, neurotransmitters (serotonin, norepinephrine), sphingolipids and aminolevulinic acid. Pyridoxine assists in the balancing of sodium and potassium as well as promoting red blood cell production. Therefore pyridoxine is required by the body to make amino acids, carbohydrates, and lipids. It is linked to cancer immunity and helps fight the formation of homocysteine. It has been suggested that pyridoxine might help children with learning difficulties, and may also prevent dandruff, eczema, and psoriasis. In addition, pyridoxine can help balance hormonal changes in women and aid in immune system. Lack of pyridoxine may cause anemia, nerve damage, seizures, skin problems, and sores in the mouth (Wikipedia). Deficiency of pyridoxine, though rare because of widespread distribution in foods, leads to the development of peripheral neuritis in adults and affects the central nervous system in children (DOSE - 3rd edition). As a supplement pyridoxine is used to treat and prevent pyridoxine deficiency, sideroblastic anaemia, pyridoxine-dependent epilepsy, certain metabolic disorders, problems from isoniazid, and certain types of mushroom poisoning. Pyridoxine in combination with doxylamine is used as a treatment for morning sickness in pregnant women. Found in rice husks, cane molasses, yeast, wheat germ and cod liver oils. Vitamin, dietary supplement, nutrient. Pyridoxine is one of the compounds that can be called vitamin B6, along with pyridoxal and pyridoxamine. It differs from pyridoxamine by the substituent at the 4 position. It is often used as pyridoxine hydrochloride. Pyridoxine in the urine is a biomarker for the consumption of soy products. Acquisition and generation of the data is financially supported in part by CREST/JST. A - Alimentary tract and metabolism > A11 - Vitamins D018977 - Micronutrients > D014815 - Vitamins COVID info from COVID-19 Disease Map KEIO_ID P053 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Pyridoxine (Pyridoxol) is a pyridine derivative. Pyridoxine exerts antioxidant effects in cell model of Alzheimer's disease via the Nrf-2/HO-1 pathway. Pyridoxine (Pyridoxol) is a pyridine derivative. Pyridoxine exerts antioxidant effects in cell model of Alzheimer's disease via the Nrf-2/HO-1 pathway.
L-2,3-Dihydrodipicolinate
L-2,3-Dihydrodipicolinate is involved in the lysine biosynthesis I pathway. L-2,3-Dihydrodipicolinate is produced from a reaction between pyruvate and L-aspartate-semialdehyde, with water as a byproduct. The reaction is catalyzed by dihydrodipicolinate synthase. L-2,3-dihydrodipicolinate reacts with NAD(P)H and H+ to produce tetrahydrodipicolinate and NAD(P)+. The reaction is catalyzed by dihydrodipicolinate reductase. L-2,3-Dihydrodipicolinate is involved in the lysine biosynthesis I pathway. L-2,3-Dihydrodipicolinate is produced from a reaction between pyruvate and L-aspartate-semialdehyde, with water as a byproduct. The reaction is catalyzed by dihydrodipicolinate synthase.
4-Methyl-5-nitrocatechol
A nitrotoluene that is 2-nitrotoluene carrying two hydroxy substituents at positions 4 and 5.
Didox
C254 - Anti-Infective Agent > C281 - Antiviral Agent > C1660 - Anti-HIV Agent C471 - Enzyme Inhibitor > C2150 - Ribonucleotide Reductase Inhibitor D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
2-Furoylglycine
2-Furoylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction:. acyl-CoA + glycine < -- > CoA + N-acylglycine. Dietary studies show that 2-Furoylglycine precursors are of exogenous origin. Most probably from furan derivatives found in food prepared by strong heating. This may explain the absence of 2-furoylglycine in urine of breastfed children (PMID 4630229). 2-Furoylglycine is also a microbial metabolite. 2-Furoylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction: 2-Furoylglycine, a urinary metabolite in human, is a putative biomarker for coffee consumption[1].
6-Hydroxydopamine
6-Hydroxydopamine, also known as 6-OHDA or oxidopamina, belongs to the class of organic compounds known as catecholamines and derivatives. Catecholamines and derivatives are compounds containing 4-(2-Aminoethyl)pyrocatechol [4-(2-aminoethyl)benzene-1,2-diol] or a derivative thereof formed by substitution. The main use for oxidopamine in scientific research is to induce Parkinsonism in laboratory animals such as mice, rats and monkeys, in order to develop and test new medicines and treatments for Parkinsons disease. In order to induce this condition in animals, around 70\\% of the dopaminergic neurons in the substantia nigra of the brain must be destroyed, and this is achieved either with oxidopamine or MPTP. 6-OHDA is thought to enter the neurons via the dopamine and noradrenaline (norepinephrine) reuptake transporters. Oxidopamine toxicity in neonatal rodents is also used as an animal model for the Lesch-Nyhan syndrome. Both these agents likely destroy neurons by generating reactive oxygen species such as superoxide radical. Oxidopamine is often used in conjunction with a selective noradrenaline reuptake inhibitor (such as desipramine) to selectively destroy dopaminergic neurons. 6-Hydroxydopamine is a naturally occurring amine in human urine. 5-Hydroxydopamine concentration in urine of DOPA treated Parkinsons patients was significantly higher than inpatients not treated or normal controls. (PMID 8255370) D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents
Phosphodimethylethanolamine
Phosphomonomethylethanolamine, phosphodimethylethanolamine and phosphocholine were weak competitive inhibitors of the cytidylyltransferase catalyzed reaction when phosphoethanolamine was used as a substrate, with Ki values of 7.0, 6.8 and 52.9 mM, respectively. (PMID: 8130268) Unlike the plant and Plasmodium PEAMT, which catalyze all three methylations in the pathway, PMT-2 catalyzes only the last two steps in the pathway, i.e., the methylation of phosphomonomethylethanolamine (P-MME) to phosphodimethylethanolamine (P-DME) and of P-DME to phosphocholine. (PMID: 16681378)
5-Hydroxydopamine
5-Hydroxydopamine is a naturally occurring amine in human urine. 5-Hydroxydopamine concentration in urine of DOPA treated Parkinsons patients was significantly higher than inpatients not treated or normal controls. (PMID 8255370) [HMDB] 5-Hydroxydopamine is a naturally occurring amine in human urine. 5-Hydroxydopamine concentration in urine of DOPA treated Parkinsons patients was significantly higher than inpatients not treated or normal controls. (PMID 8255370).
6-Acetyl-2,3-dihydro-2-(hydroxymethyl)-4(1H)-pyridinone
6-Acetyl-2,3-dihydro-2-(hydroxymethyl)-4(1H)-pyridinone is a minor product from the Maillard reaction of xylose and glycin Minor product from the Maillard reaction of xylose and glycine
Didox
C254 - Anti-Infective Agent > C281 - Antiviral Agent > C1660 - Anti-HIV Agent C471 - Enzyme Inhibitor > C2150 - Ribonucleotide Reductase Inhibitor D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
Monosodium glutamate
C5H8NNaO4 (169.03510079999998)
Food flavour enhancer. Monosodium glutamate, also known as sodium glutamate or MSG, is the sodium salt of glutamic acid, one of the most abundant naturally occurring non-essential amino acids. It has been classified by the U.S. Food and Drug Administration as generally recognized as safe (GRAS) and by the European Union as a food additive. MSG has the HS code 29224220 and the E number E621. The glutamate of MSG confers the same umami taste of glutamate from other foods, being chemically identical. Industrial food manufacturers market and use MSG as a flavor enhancer because it balances, blends and rounds the total perception of other tastes. Trade names of monosodium glutamate include AJI-NO-MOTO®, Vetsin, and Accent. [Wikipedia]. Food flavour enhancer
(S)-2,3,4,5-tetrahydrodipicolinate
(s)-2,3,4,5-tetrahydrodipicolinate belongs to alpha amino acids and derivatives class of compounds. Those are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof (s)-2,3,4,5-tetrahydrodipicolinate is slightly soluble (in water) and a weakly acidic compound (based on its pKa). (s)-2,3,4,5-tetrahydrodipicolinate can be found in a number of food items such as wasabi, java plum, tarragon, and scarlet bean, which makes (s)-2,3,4,5-tetrahydrodipicolinate a potential biomarker for the consumption of these food products (s)-2,3,4,5-tetrahydrodipicolinate may be a unique E.coli metabolite.
p-CHLOROAMPHETAMINE
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents
5-hydroxy-5-(hydroxymethyl)-4-methyl-3-vinyl-1H-pyrrol-2(5H)-one|chushizilactam A
1-(2,3-epoxy-1-hydroxy-3-isocyano-cyclopent-4-enyl)ethanol
Pyridoxine
A hydroxymethylpyridine with hydroxymethyl groups at positions 4 and 5, a hydroxy group at position 3 and a methyl group at position 2. The 4-methanol form of vitamin B6, it is converted intoto pyridoxal phosphate which is a coenzyme for synthesis of amino acids, neurotransmitters, sphingolipids and aminolevulinic acid. A - Alimentary tract and metabolism > A11 - Vitamins D018977 - Micronutrients > D014815 - Vitamins COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Pyridoxine (Pyridoxol) is a pyridine derivative. Pyridoxine exerts antioxidant effects in cell model of Alzheimer's disease via the Nrf-2/HO-1 pathway. Pyridoxine (Pyridoxol) is a pyridine derivative. Pyridoxine exerts antioxidant effects in cell model of Alzheimer's disease via the Nrf-2/HO-1 pathway.
DCA_170.0367_15.5
CONFIDENCE Probable structure via diagnostic evidence, tentative identification (Level 2b); INTERNAL_ID 403
Norepinephrine
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist C78274 - Agent Affecting Cardiovascular System > C126567 - Vasopressor C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CA - Adrenergic and dopaminergic agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents
2-Furoylglycine
A glycine derivative that is the carboxamide obtained by the formal condensation of the amino group of glycine with 2-furoic acid. 2-Furoylglycine, a urinary metabolite in human, is a putative biomarker for coffee consumption[1].
Noradrenaline
A catecholamine in which C-1 of the aminoethyl side-chain is hydroxy-substituted.
6-Acetyl-2,3-dihydro-2-(hydroxymethyl)-4(1H)-pyridinone
N,N-Diethyl-2,2,2-Trifluoroacetamide
C6H10F3NO (169.07144459999998)
(2S,4R)-4-FLUOROPYRROLIDINE-2-CARBOXYLIC ACID HYDROCHLORIDE
C5H9ClFNO2 (169.03058160000003)
4-Chloro-1,5,6,7-tetrahydro-pyrido[2,3-d]pyrimidine
2-Chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
5-chloro-2,4-diazabicyclo[4.3.0]nona-2,4,10-trien-3-amine
4-Chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
2-Pyrimidineacetamide,1,6-dihydro-4-hydroxy-6-oxo-
5-cyclopentyl-1,3,4-thiadiazol-2-amine(SALTDATA: FREE)
1H,3H-Pyrrolo[1,2-c]oxazole-1,3-dione,5-ethyltetrahydro-,(5R-trans)-(9CI)
4-FLUORO-3-(TRIMETHYLSILYL)PYRIDINE
C8H12FNSi (169.07230040000002)
3-acetyl-4,5-dimethyl-5-hydroxy-1,5-dihydro-2h-pyrrol-2-one
1,2-Dihydro-6-hydroxy-2-oxo-4-pyridinecarboxylic acid methyl ester
8-((4-bromophenyl)sulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
(2-(Methylthio)pyridin-3-yl)boronic acid
C6H8BNO2S (169.03687779999998)
1H-Imidazole-4-carboxylicacid,5-[(methylamino)carbonyl]-(9CI)
1H-1,2,4-Triazole-3-carboxylic acid, 1-acetyl-5-methyl- (7CI)
3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
4-Amino-2-methylsulfanyl-pyrimidine-5-carbaldehyde
2,3-dihydroxy-4-[(hydroxyamino)methylidene]cyclohexa-2,5-dien-1-one
6,7-DIHYDRO-5H-CYCLOPENTA[C]PYRIDIN-5-ONE HYDROCHLORIDE
5-(Methylthio)pyridine-3-boronic acid
C6H8BNO2S (169.03687779999998)
3-(5,7-DIMETHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6-YL)-PROPIONIC ACID
Methyl 4,6-dioxo-1,4,5,6-tetrahydropyridine-3-carboxylate
(+)-(6R)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole
2-(methylthio)-5-pyridinyl-boronic acid
C6H8BNO2S (169.03687779999998)
Thiazolo[4,5-c]pyridin-2-amine, 4,5,6,7-tetrahydro-5-methyl- (9CI)
(Pyridin-2-ylthio)methylboronic acid
C6H8BNO2S (169.03687779999998)
4-CHLORO-6,7-DIHYDRO-5H-CYCLOPENTA[B]PYRIDINE 1-OXIDE
6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[4,3-A]AZEPINE-3-THIOL
1-METHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXAMIDE
Cyclopropanamine, 1-phenyl-, labeled with carbon-14, hydrochloride (9CI)
2-AMINO-6,7-DIHYDROTHIAZOLO[5,4-C]PYRIDIN-4(5H)-ONE
5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDIN-2-AMINE
6-CHLORO-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE HYDROCHLORIDE
O-(2-Trimethylsilylethyl)hydroxylamine Hydrochloride
C5H16ClNOSi (169.06896360000002)
2-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
1-Cyclopentene-1-carbonyl chloride, 2-(cyanomethyl)- (8CI)
3-chloro-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine
4-Chloro-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidine
3-Chloro-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine
3-FLUORO-2-TRIMETHYLSILANYL-PYRIDINE
C8H12FNSi (169.07230040000002)
(3S,5R)-5-(trifluoromethyl)piperidin-3-ol
C6H10F3NO (169.07144459999998)
4(3H)-Pyrimidinethione,2-(dimethylamino)-3-methyl-
(3R,4R)-3-AMINO-4-HYDROXYPENTANOIC ACID HYDROCHLORIDE
3-Ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
3-Amino-2,4-dihydroxybenzoic acid
An aminobenzoic acid that is benzoic acid substituted by hydroxy groups at positions 2 and 4, and by an amino group at position 3.
1,6-Dihydroxy-2-methylcyclohexa-2,4-diene-1-carboxylate
cis-1,2-Dihydroxy-4-methylcyclohexa-3,5-diene-1-carboxylate
Monosodium Glutamate
C5H8NNaO4 (169.03510079999998)
D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents L-Glutamic acid monosodium salt acts as an excitatory transmitter and an agonist at all subtypes of glutamate receptors (metabotropic, kainate, NMDA, and AMPA). (S)-Glutamic acid shows a direct activating effect on the release of DA from dopaminergic terminals. L-Glutamic acid monosodium salt is an excitatory amino acid neurotransmitter that acts as an agonist for all subtypes of glutamate receptors (metabolic rhodophylline, NMDA, and AMPA). L-Glutamic acid monosodium salt has an agonist effect on the release of DA from dopaminergic nerve endings. L-Glutamic acid monosodium salt can be used in the study of neurological diseases[1][2][3][4][5]. L-Glutamic acid monosodium salt acts as an excitatory transmitter and an agonist at all subtypes of glutamate receptors (metabotropic, kainate, NMDA, and AMPA). (S)-Glutamic acid shows a direct activating effect on the release of DA from dopaminergic terminals.
Glutamate monosodium salt
C5H8NNaO4 (169.03510079999998)
D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents L-Glutamic acid monosodium salt acts as an excitatory transmitter and an agonist at all subtypes of glutamate receptors (metabotropic, kainate, NMDA, and AMPA). (S)-Glutamic acid shows a direct activating effect on the release of DA from dopaminergic terminals. L-Glutamic acid monosodium salt is an excitatory amino acid neurotransmitter that acts as an agonist for all subtypes of glutamate receptors (metabolic rhodophylline, NMDA, and AMPA). L-Glutamic acid monosodium salt has an agonist effect on the release of DA from dopaminergic nerve endings. L-Glutamic acid monosodium salt can be used in the study of neurological diseases[1][2][3][4][5]. L-Glutamic acid monosodium salt acts as an excitatory transmitter and an agonist at all subtypes of glutamate receptors (metabotropic, kainate, NMDA, and AMPA). (S)-Glutamic acid shows a direct activating effect on the release of DA from dopaminergic terminals.
(1R,6S)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylate
4-Hydroxy-2-[(hydroxyamino)-methylamino]phenolate
C7H9N2O3- (169.06131440000001)
Phosphodimethylethanolamine
The N,N-dimethyl derivative of ethanolamine phosphate.
2,3,4,5-tetrahydrodipicolinate(2-)
A dicarboxylic acid dianion resulting from deprotonation of both carboxy groups of 2,3,4,5-tetrahydrodipicolinic acid.