Exact Mass: 168.9930554
Exact Mass Matches: 168.9930554
Found 398 metabolites which its exact mass value is equals to given mass value 168.9930554,
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.
Chlorzoxazone
A centrally acting central muscle relaxant with sedative properties. It is claimed to inhibit muscle spasm by exerting an effect primarily at the level of the spinal cord and subcortical areas of the brain. (From Martindale, The Extra Pharmacopoea, 30th ed, p1202) M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents > M03BB - Oxazol, thiazine, and triazine derivatives D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant D002491 - Central Nervous System Agents COVID info from PDB, Protein Data Bank Corona-virus KEIO_ID C042 Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Glyphosate
D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D004791 - Enzyme Inhibitors > D014475 - Uncoupling Agents D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Cysteic acid
Cysteic acid is a crystalline amino acid formed in the oxidation of cysteine; it is a precursor of taurine. A crystalline amino acid formed in the oxidation of cysteine; it is a precursor of taurine. [HMDB]
2-Amino-3-phosphonopropionic acid
2-Amino-3-phosphonopropionic acid (AP-3 or 2-AP3), also known as 3-phosphonoalanine, is a non-proteinogenc alpha-amino acid that is alanine in which one of the hydrogens of the terminal methyl group has been replaced by a dihydroxy(oxido)-lambda(5)-phosphanyl group. It is found in many organisms ranging from microbes to invertebrates to animals. In humans AP-3 is found in diverse tissues, such as liver, intestine and spleen. (PMID: 2627760). 2-Amino-3-phosphonopropionic acid is a ubiquitous naturally occurring phosphonate used as a source of phosphorus by many prokaryotic organisms (PMID: 30119975). The natural occurrence of 2-amino-3-phosphonopropionic acid. the phosphonate analogue of aspartic acid, was first reported by Kittredge & Hughes (PMID: 14214094) in the sea anemone Zoanthus sociatus and the protozoon Tetrahymena pyriformis. It has since been established to be one of the most widely distributed of the biogenic C–P compounds, particularly among the lower marine invertebrates (PMID: 19191873). AP-3 has been determined to be a metabotropic glutamate receptor agonist (PMID: 8836635). It has been shown to block the amyloid precursor protein (APP) release evoked by glutamate receptor stimulation in neurons of the cortex and hippocampus. APP accumulation is believed to produce the damage in Alzheimer’s disease (PMID: 7644542). 2-Amino-3-phosphonopropionic acid (AP-3)is a normal human metabolite found in diverse tissues, such as liver, intestine and spleen. (PMID 2627760) AP-3 is a metabotropic glutamate receptor agonist (PMID 8836635) shown to block the amyloid precursor protein (APP) release evoked by glutamate receptor stimulation in neurons of the cortex and hippocampus; APP accumulation is believed to produce the damage in Alzheimer disease (PMID 7644542) [HMDB] D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists KEIO_ID A131 DL-AP3 is a competitive mGluR1 and mGluR5 antagonist. DL-AP3 is also an inhibitor of phosphoserine phosphatase. DL-AP3 has neuroprotective effect[1][2][3].
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.
Selenocysteine
Selenocysteine is an amino acid that is present in several enzymes (for example glutathione peroxidases, tetraiodothyronine 5 deiodinases, thioredoxin reductases, formate dehydrogenases, glycine reductases and some hydrogenases). Selenocysteine has a structure similar to cysteine, but with an atom of selenium taking the place of the usual sulfur. Proteins that include a selenocysteine residue are called selenoproteins (Wikipedia). Selenocysteine is a naturally occurring amino acid in both eukaryotic and prokaryotic organisms. It is found in tRNAs and in the catalytic site of some enzymes. The genes for glutathione peroxidase and formate dehydrogenase contain the TGA codon, which codes for this amino acid (Pubchem). Formed by seleniferous plants, e.g. onion, cabbage
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].
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
L-Cysteic acid
Cysteinesulfonic acid, also known as (2r)-2-amino-3-sulfopropanoic acid or 3-sulfoalanine, is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom. Cysteinesulfonic acid is soluble (in water) and an extremely strong acidic compound (based on its pKa). Cysteinesulfonic acid can be found in a number of food items such as roman camomile, pili nut, chicory, and garden tomato, which makes cysteinesulfonic acid a potential biomarker for the consumption of these food products.
(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.
L-Cysteic acid
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.054 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.052 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.051
DCA_170.0367_15.5
CONFIDENCE Probable structure via diagnostic evidence, tentative identification (Level 2b); INTERNAL_ID 403
2-Amino-3-phosphonopropionic acid
DL-AP3 is a competitive mGluR1 and mGluR5 antagonist. DL-AP3 is also an inhibitor of phosphoserine phosphatase. DL-AP3 has neuroprotective effect[1][2][3].
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].
chlorzoxazone
M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents > M03BB - Oxazol, thiazine, and triazine derivatives D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant D002491 - Central Nervous System Agents COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
6-Chlorooxazone
CONFIDENCE standard compound; INTERNAL_ID 259; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4101; ORIGINAL_PRECURSOR_SCAN_NO 4099 CONFIDENCE standard compound; INTERNAL_ID 259; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4099; ORIGINAL_PRECURSOR_SCAN_NO 4094 CONFIDENCE standard compound; INTERNAL_ID 259; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4115; ORIGINAL_PRECURSOR_SCAN_NO 4111 CONFIDENCE standard compound; INTERNAL_ID 259; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4108; ORIGINAL_PRECURSOR_SCAN_NO 4106 CONFIDENCE standard compound; INTERNAL_ID 259; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4184; ORIGINAL_PRECURSOR_SCAN_NO 4181 CONFIDENCE standard compound; INTERNAL_ID 259; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4102; ORIGINAL_PRECURSOR_SCAN_NO 4099
1H-Imidazole-4-carbonyl chloride, 5-cyano-1-methyl- (9CI)
C6H4ClN3O (169.00428839999998)
5-(trifluoromethyl)-1,2-dihydro-1,2,4-triazole-3-thione
C3H2F3N3S (168.99215279999999)
(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
L-AP3
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists
4-Chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
2-chloro-2,3,3-trifluorocyclobutane-1-carbonitrile
2-Amino-5-Trifluoromethyl-1,3,4-Thiadiazole
C3H2F3N3S (168.99215279999999)
6-chloro-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one
C6H4ClN3O (169.00428839999998)
1,2-Dihydro-6-hydroxy-2-oxo-4-pyridinecarboxylic acid methyl ester
(2-(Methylthio)pyridin-3-yl)boronic acid
C6H8BNO2S (169.03687779999998)
Sodium 1-pyrrolidinecarbodithioate
C5H8NNaS2 (168.99958479999998)
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
7-CHLOROIMIDAZO[1,2-A]PYRIMIDIN-5(1H)-ONE
C6H4ClN3O (169.00428839999998)
5-(Methylthio)pyridine-3-boronic acid
C6H8BNO2S (169.03687779999998)
7-CHLORO-3-METHYL-3H-1,2,3-TRIAZOLO[4,5-D]PYRIMIDINE
Methyl 4,6-dioxo-1,4,5,6-tetrahydropyridine-3-carboxylate
dichloroborane-dioxane complex 3m solu&
C4H8BCl2O2 (168.99943780000004)
2-(methylthio)-5-pyridinyl-boronic acid
C6H8BNO2S (169.03687779999998)
1,4-DIHYDRO-2H-THIENO[3,2-D][1,3]OXAZINE-2,4-DIONE
5-Chloro-1H-imidazo[4,5-b]pyridin-2(3H)-one
C6H4ClN3O (169.00428839999998)
1,1-DIOXIDO-2,3-DIHYDROTHIEN-3-YLAMINE HYDROCHLORIDE
6-CHLORO-1H-IMIDAZO[4,5-B]PYRIDIN-2(3H)-ONE
C6H4ClN3O (169.00428839999998)
(Pyridin-2-ylthio)methylboronic acid
C6H8BNO2S (169.03687779999998)
4-CHLORO-6,7-DIHYDRO-5H-CYCLOPENTA[B]PYRIDINE 1-OXIDE
4-Chloro-3H-imidazo[4,5-c]pyridin-2-ol
C6H4ClN3O (169.00428839999998)
trisodium hydrogen bis[N-(phosphonatomethyl)aminoacetate]
6-Chloro-2-hydroxyimidazo[1,2-b]pyridazine
C6H4ClN3O (169.00428839999998)
2-AMINO-6,7-DIHYDROTHIAZOLO[5,4-C]PYRIDIN-4(5H)-ONE
Imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
2-Chloro-4-methoxy-5-pyrimidinecarbonitrile
C6H4ClN3O (169.00428839999998)
7-chlorobenzo[c][1,2,5]oxadiazol-4-amine
C6H4ClN3O (169.00428839999998)
6-CHLORO-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE HYDROCHLORIDE
2-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
1-Cyclopentene-1-carbonyl chloride, 2-(cyanomethyl)- (8CI)
2-CHLORO-5H-PYRROLO[2,3-D]PYRIMIDIN-6(7H)-ONE
C6H4ClN3O (169.00428839999998)
3-chloro-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine
4-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one
C6H4ClN3O (169.00428839999998)
4-Chloro-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidine
3-Chloro-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine
7-chloro-1,3-dihydroimidazo[4,5-c]pyridin-2-one
C6H4ClN3O (169.00428839999998)
8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
C6H4ClN3O (169.00428839999998)
2-chloro-1H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one
C6H4ClN3O (169.00428839999998)
3-Pyridinecarboxylic acid, 1,2-dihydro-2-thioxo-, Methyl ester
3-Ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
7-Chloro-Imidazo[1,2-C]Pyrimidin-5-Ol
C6H4ClN3O (169.00428839999998)
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.
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.
glyphosate
D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D004791 - Enzyme Inhibitors > D014475 - Uncoupling Agents D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
DL-AP3
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists DL-AP3 is a competitive mGluR1 and mGluR5 antagonist. DL-AP3 is also an inhibitor of phosphoserine phosphatase. DL-AP3 has neuroprotective effect[1][2][3].
selenocysteine
An alpha-amino acid that consists of alanine where one of the methyl hydrogens is substituted with a seleno group.
O,O-Diethyl thiophosphate
An organic phosphorothioate anion that is the conjugate base of O,O-diethyl hydrogen thiophosphate, resulting from the deprotonation of the thiophosphate group. Major species at pH 7.3.
4-Chlorophenylacetate
A monocarboxylic acid anion that results from the removal of a proton from the carboxylic acid group of 4-chlorophenylacetic acid.
2,3,4,5-tetrahydrodipicolinate(2-)
A dicarboxylic acid dianion resulting from deprotonation of both carboxy groups of 2,3,4,5-tetrahydrodipicolinic acid.
L-selenocysteine zwitterion
Zwitterionic form of L-selenocysteine having a anionic carboxy group and a cationic amino group; major species at pH 7.3.
2-Amino-3-phosphonopropanoic acid
A non-proteinogenc alpha-amino acid that is alanine in which one of the hydrogens of the terminal methyl group has been replaced by a dihydroxy(oxido)-lambda(5)-phosphanyl group.