Exact Mass: 173.1416
Exact Mass Matches: 173.1416
Found 372 metabolites which its exact mass value is equals to given mass value 173.1416,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
N-Acetylleucine
N-Acetyl-L-leucine or N-Acetylleucine, 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-Acetylleucine can also be classified as an alpha amino acid or a derivatized alpha amino acid. Technically, N-Acetylleucine is a biologically available N-terminal capped form of the proteinogenic alpha amino acid L-lecuine. 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-acetylleucine 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 leucine can also occur. In particular, N-Acetylleucine can be biosynthesized from L-leucine and acetyl-CoA by the enzyme leucine N-acetyltransferase (EC 2.3.1.66). Excessive amounts N-acetyl amino acids including N-acetylleucine (as well as N-acetylglycine, N-acetylserine, N-acetylglutamine, N-acetylglutamate, N-acetylalanine, N-acetylmethionine 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-acetylleucine 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). N-Acetyl-L-leucine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=1188-21-2 (retrieved 2024-07-02) (CAS RN: 1188-21-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). N-Acetyl-L-leucine is an endogenous metabolite.
Norselegiline
D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D009676 - Noxae > D009498 - Neurotoxins KEIO_ID M034
Swainsonine
Swainsonine is an indolizidine alkaloid isolated from the plant Swainsona canescens with three hydroxy substituents at positions 1, 2 and 8. It has a role as an antineoplastic agent, an immunological adjuvant, an EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor and a plant metabolite. An indolizidine alkaloid from the plant Swainsona canescens that is a potent alpha-mannosidase inhibitor. Swainsonine also exhibits antimetastatic, antiproliferative, and immunomodulatory activity. Swainsonine is a natural product found in Slafractonia leguminicola, Astragalus whitneyi, and other organisms with data available. Swainsonine is a plant toxin found in locoweed (families Fabaceae, Oxytropis, Astragalus and Swainsona) and some fungi (Metarhizium anisopliae, Rizoctonia leguminicola). It has been known to cause a potentially lethal central nervous system condition in livestock known as locoism and is a significant cause of economic losses in livestock industries. Along with slaframine, the other biologially active compound of R. leguminicola, it may contribute to a condition called "slobbers syndrome" in livestock that has ingested contaminated feed. (L1248, A3092) An indolizidine alkaloid from the plant Swainsona canescens that is a potent alpha-mannosidase inhibitor. Swainsonine also exhibits antimetastatic, antiproliferative, and immunomodulatory activity. An indolizidine alkaloid isolated from the plant Swainsona canescens with three hydroxy substituents at positions 1, 2 and 8. C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent > C2117 - Carbohydrate Processing Inhibitor C26170 - Protective Agent > C2459 - Chemoprotective Agent > C2080 - Cytoprotective Agent C471 - Enzyme Inhibitor > C2119 - Golgi Alpha-Mannosidase II Inhibitor C274 - Antineoplastic Agent > C2196 - Antimetastatic Agent D000970 - Antineoplastic Agents D007155 - Immunologic Factors D004791 - Enzyme Inhibitors
Hexanoylglycine
Hexanoylglycine 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-acylglycineHexanoylglycine is a fatty acid metabolite, it appears in the urine of patients with hereditary medium-chain acyl-CoA dehydrogenase (MCAD) deficiency (PMID 2775902), which is a genetic disorder. Hexanoylglycine 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:
N-Acetylisoleucine
N-Acetyl-L-isoleucine or N-Acetylisoleucine, 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-Acetylisoleucine can also be classified as an alpha amino acid or a derivatized alpha amino acid. Technically, N-Acetylisoleucine is a biologically available N-terminal capped form of the proteinogenic alpha amino acid L-isolecuine. 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-acetylisoleucine 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 isoleucine can also occur. In particular, N-Acetylisoleucine can be biosynthesized from L-isoleucine and acetyl-CoA by the enzyme leucine/isoleucine N-acetyltransferase (EC 2.3.1.66). Excessive amounts N-acetyl amino acids including N-acetylisoleucine (as well as N-acetylglycine, N-acetylserine, N-acetylglutamine, N-acetylglutamate, N-acetylalanine, N-acetylmethionine and smaller amounts of N-acetylthreonine, N-acetylleucine, 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-acetylisoleucine 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).
Isovalerylalanine
Isovalerylalanine, also known as isopentanoylalanine, belongs to the class of organic compounds known as N-acyl-L-alpha-amino acids. These are N-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom. Isovalerylalanine results from the formal condensation of the carboxy group of isovaleric acid with the amino group of L-alanine. Isovalerylalanine is one of the constituents of the organic acid profile in isovaleric acidemia, it is believed to be formed by the action of the enzyme glycine N-acylase on alanine, using isovaleryl-CoA as a substrate (PMID: 6197208). Isovaleric acidemia was the first organic acid acidemia to be documented in humans. It is an autosomal recessive inborn error in the metabolism of leucine, caused by a deficiency of the mitochondrial enzyme isovaleryl-CoA dehydrogenase (IVD) that results in the accumulation isovaleryl-CoA derivatives (PMID: 16602101). The excess of isovaleryl-CoA in plasma allows for the formation of condensation derivatives, such as isovalerylalanine which makes it one of the biomarkers for this condition. Isovalerylalanine is a metabolite
Isovalerylsarcosine
N-isovalerylsarcosine is a minor but characteristic constituent of the organic acid profile in isovaleric acidemia. They are assumed to be formed from isovaleryl-CoA by action of the enzyme acyl-CoA:glycine N-acyltransferase [EC 2.3.1.13] on sarcosine. (PMID: 6197208) [HMDB] N-isovalerylsarcosine is a minor but characteristic constituent of the organic acid profile in isovaleric acidemia. They are assumed to be formed from isovaleryl-CoA by action of the enzyme acyl-CoA:glycine N-acyltransferase [EC 2.3.1.13] on sarcosine. (PMID: 6197208).
apo-[3-methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)]
Apo-[3-methylcrotonoyl-coa:carbon-dioxide ligase (adp-forming)] is part of the Biotin metabolism pathway. It is a substrate for: Biotin--protein ligase.
Acrylamide-sodium acrylate resin
It is used as a food additive .
(1S, 2R, 7R, 8R)-2, 7-Dihydroxy-1-hydroxymethylpyrrolizidine
1,7-Dihydroxy-1-hydroxymethylhexahydro-1H-pyrrolizine
4-Methyl-4-semicarbazido-pentan-2-on|4-methyl-4-semicarbazido-pentan-2-one|Diacetonsemicarbazid|Methyl-(beta-semicarbazino-isobutyl)-keton
6-Acetamidohexanoic acid
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents 6-Acetamidohexanoic acid is a pharmaceutical intermediate.
Nordeprenyl
D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors CONFIDENCE standard compound; EAWAG_UCHEM_ID 3281 CONFIDENCE standard compound; INTERNAL_ID 2118
N-Acetyl-L-leucine
The N-acetyl derivative of L-leucine. N-Acetyl-L-leucine is an endogenous metabolite.
Desmethylselegiline
CONFIDENCE Transformation product with Reference Standard (Level 1); INTERNAL_ID 503 D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors
3-Methyl-1-phenyl-1H-pyrazol-5-amine
CONFIDENCE standard compound; INTERNAL_ID 1011; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4978; ORIGINAL_PRECURSOR_SCAN_NO 4976 CONFIDENCE standard compound; INTERNAL_ID 1011; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4993; ORIGINAL_PRECURSOR_SCAN_NO 4992 CONFIDENCE standard compound; INTERNAL_ID 1011; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5005; ORIGINAL_PRECURSOR_SCAN_NO 5002 CONFIDENCE standard compound; INTERNAL_ID 1011; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5023; ORIGINAL_PRECURSOR_SCAN_NO 5021 DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; INTERNAL_ID 1011; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5023; ORIGINAL_PRECURSOR_SCAN_NO 5021 CONFIDENCE standard compound; INTERNAL_ID 1011; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5011; ORIGINAL_PRECURSOR_SCAN_NO 5010 CONFIDENCE standard compound; INTERNAL_ID 1011; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5012; ORIGINAL_PRECURSOR_SCAN_NO 5010
Acetylleucine
N - Nervous system > N07 - Other nervous system drugs > N07C - Antivertigo preparations > N07CA - Antivertigo preparations
(2S)-6-amino-2-[(hydroxymethylidene)amino]hexanimidic acid
2-(2,6-dimethylmorpholin-4-yl)acetic acid,hydrochloride
(R)-METHYL 2-AMINO-2-(TETRAHYDRO-2H-PYRAN-4-YL)ACETATE
Propanoic acid,2-[[(1-methylethylidene)amino]oxy]-, ethyl ester
Amino-(tetrahydropyran-4-yl)acetic acid methyl ester
2-AMINO-3-(TETRAHYDRO-2H-PYRAN-4-YL)PROPANOIC ACID
9-aminononanoic acid
A omega-amino fatty acid that is nonanoic acid substituted by an amino group at position 9.
4-hydroxy-tempo
D020011 - Protective Agents > D011837 - Radiation-Protective Agents D020011 - Protective Agents > D000975 - Antioxidants
(S)-1-(4-CHLOROPHENYL)-2,2,2-TRIFLUOROETHYLAMINEHCL
METHYL 4-AMINOMETHYL-TETRAHYDRO-PYRAN-4-CARBOXYLATE
(4-METHYLPIPERIDINO)(3-PIPERIDINYL)METHANONEHYDROCHLORIDE
(4Z)-7-[(1R,2R,3S,5S)-5-([1,1-BIPHENYL]-4-YLMETHOXY)-3-HYDROXY-2-(1-PIPERIDINYL)CYCLOPENTYL]-4-HEPTENOICACIDHYDROCHLORIDE
Spiro[cyclopentane-1,2-[2H]imidazo[4,5-b]pyridine] (9CI)
N-[[4-(3-bromo-4-methoxy-phenyl)-1,3-thiazol-2-yl]thiocarbamoyl]-3-ethoxy-benzamide
Pyrimido[1,2-a]benzimidazole, 1,2,3,4-tetrahydro- (8CI,9CI)
(S)-N-(2,2-DIMETHYL-1[1,3]DIOXOLAN-4-YLMETHYL)-ACETAMIDE
Propanoic acid,3-(butylamino)-2-methyl-, methyl ester
(3aR,4S,6R,6aS)-6-Aminotetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-ol
6-guanidinohexanoic acid
A member of the class of guanidines that consists of hexanoic acid substituted by a guanidino group at position 6.
1H-1,2,3-Triazole,4,5-dihydro-1-methoxy-4,4,5,5-tetramethyl-,2-oxide(9CI)
Acetic acid, (4-piperidinyloxy)-, methyl ester (9CI)
1-((E)-(S)-3,7-DIMETHYL-3-VINYL-OCTA-1,6-DIENYL)-4-METHOXY-BENZENE
4-Morpholinecarboximidamide, N-hydroxy-3,3-dimethyl-
1-FLUORO-2-METHYL-N,N-BIS(1-METHYLETHYL)-1-PROPEN-1-AMINE
Pyrido[4,3:4,5]pyrrolo[1,2-a]pyrazine, 1,2,3,4-tetrahydro- (9CI)
4-(2-hydroxyethyl)-piperazine-1-carboxylic acid amide
4-(1-methyl-1H-pyrazol-4-yl)aniline(SALTDATA: FREE)
MORPHOLIN-3-YL-ACETIC ACID ETHYL ESTER HYDROCHLORIDE
1,4-DIHYDRO-2,4,6-TRIMETHYL-3,5-PYRIDINEDICARBONITRILE
(S)-METHYL 2-AMINO-2-(TETRAHYDRO-2H-PYRAN-4-YL)ACETATE
(1Z)-1-[(3,4-DIETHOXYPHENYL)METHYLIDENE]-6,7-DIETHOXY-3,4-DIHYDRO-2H-ISOQUINOLINEHYDROCHLORIDE
4-(hydroxymethyl)-1-(2-methoxyethyl)pyrrolidin-2-one
Bicyclo[3.3.1]non-6-en-3-amine,hydrochloride, endo- (9CI)
N-METHOXY-N-METHYLTETRAHYDRO-2H-PYRAN-4-CARBOXAMIDE
methyl N-acetylvalinate
A valine derivative with one of the amine hydrogens replaced by an acetyl group and the carboxylic acid hydrogen replaced by a methyl group.
apo-[3-methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)]
Apo-[3-methylcrotonoyl-coa:carbon-dioxide ligase (adp-forming)] is a member of the class of compounds known as carboximidic acids. Carboximidic acids are organic acids with the general formula RC(=N)-OH (R=H, organic group). Apo-[3-methylcrotonoyl-coa:carbon-dioxide ligase (adp-forming)] is soluble (in water) and a very weakly acidic compound (based on its pKa). Apo-[3-methylcrotonoyl-coa:carbon-dioxide ligase (adp-forming)] can be found in barley, corn, and spinach, which makes apo-[3-methylcrotonoyl-coa:carbon-dioxide ligase (adp-forming)] a potential biomarker for the consumption of these food products. Apo-[3-methylcrotonoyl-coa:carbon-dioxide ligase (adp-forming)] is part of the Biotin metabolism pathway. It is a substrate for: Biotin--protein ligase.
apo-[3-methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)]
Apo-[3-methylcrotonoyl-coa:carbon-dioxide ligase (adp-forming)] is part of the Biotin metabolism pathway. It is a substrate for: Biotin--protein ligase.
L-enduracididine(1+)
An alpha-amino-acid cation obtained by deprotonation of the carboxy group and protonation of the amino and guanidino groups of L-enduracididine.
n-[(2r)-1-Phenylpropan-2-yl]prop-2-yn-1-amine
D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors
L-argininate
An L-alpha-amino acid anion that is the conjugate base of L-arginine; obtained by deprotonation of the carboxy group.
2-(Hydroxymethyl)pyrrolidine-1-carboxylic acid ethyl ester
N-Acetyl-L-isoleucine
An N-acetyl-L-amino acid that is L-isoleucine in which one of the nitrogens attached to the nitrogen is replaced by an acetyl group.
N-Isovaleryl-L-alanine
An N-acyl-L-alanine resulting from the formal condensation of carboxy group of isovaleric acid with the amino group of L-alanine.
N-Isovalerylsarcosine
An N-acyl-amino acid resulting from the formal condensation of carboxy group of isovaleric acid with the amino group of sarcosine.
N-Acetylisoleucine
An isoleucine derivative that is the N-acetyl derivative of isoleucine.
(2S,3R)-capreomycidine(1+)
An alpha-amino-acid cation obtained by deprotonation of the carboxy group and protonation of the amino and guanidino groups of (2S,3R)-capreomycidine.
L-Indospicine
An alpha-amino acid that is 2,7-diaminoheptanoic acid substituted by a imino group at position 7 (the 2S stereoisomer).
N-Hexanoylglycine
An N-acylglycine in which the acyl group is specified as hexanoyl.
SCH 50911
SCH 50911, (+)-(S)-5,5-dimethylmorpholinyl-2-acetic acid, a selective, orally-active and competitive γ-Aminobutyric acid B GABA(B) receptor antagonist, binds to GABA(B) receptor with IC50 of 1.1 μM. SCH 50911 antagonizes GABA(B) autoreceptors, increasing the electrically-stimulated 3H overflow with an IC50 of 3 μM[1].
