Exact Mass: 165.05853679999998
Exact Mass Matches: 165.05853679999998
Found 500 metabolites which its exact mass value is equals to given mass value 165.05853679999998,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Methionine sulfoxide
Methionine sulfoxide belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. Methionine sulfoxide exists in all living species, ranging from bacteria to humans. Within humans, methionine sulfoxide participates in a number of enzymatic reactions. In particular, methionine sulfoxide can be biosynthesized from L-methionine through its interaction with the enzyme methionine-R-sulfoxide reductase B3. In addition, methionine sulfoxide can be biosynthesized from L-methionine through the action of the enzyme methionine-R-sulfoxide reductase b2, mitochondrial. In humans, methionine sulfoxide is involved in the metabolic disorder called hypermethioninemia. Methionine sulfoxide is an oxidation product of methionine with reactive oxygen species via 2-electron-dependent mechanism. Such oxidants can be generated from activated neutrophils; therefore, methionine sulfoxide can be regarded as a biomarker of oxidative stress in vivo. (PMID 12576054) [HMDB]. Methionine sulfoxide is found in many foods, some of which are romaine lettuce, white cabbage, dill, and yellow bell pepper. L-Methionine sulfoxide (H-Met(O)-OH), a metabolite of Methionine, induces M1/classical macrophage polarization, and modulates oxidative stress and purinergic signaling parameters[1]. Methionine sulfoxide is an oxidation product of methionine with reactive oxygen species and can be regarded as a biomarker of oxidative stress in vivo. Methionine sulfoxide is an oxidation product of methionine with reactive oxygen species and can be regarded as a biomarker of oxidative stress in vivo.
7-Methylguanine
7-Methylguanine is a metabolite of DNA methylation and depurination observed in normal human biofluids; however, it has been found significantly higher in the urine of smokers than in nonsmokers. (PMID 16059882). 7-Methylguanine has been identified in the human placenta (PMID: 32033212). 7-Methylguanine is a metabolite of DNA methylation and depurination observed in normal human biofluids; however, it has been found significantly higher in the urine of smokers than in nonsmokers. (PMID 16059882) [HMDB] KEIO_ID M043
3-Methylguanine
3-Methylguanine is a methylated purine base. Methylated purine bases are known to be present in normal urine and to change under pathological conditions, in particular in the development of leukemia, tumors and immunodeficiency, by the altered turnover of nucleic acids typical of these diseases. (PMID 9069642) [HMDB] 3-Methylguanine is a methylated purine base. Methylated purine bases are known to be present in normal urine and to change under pathological conditions, in particular in the development of leukemia, tumors and immunodeficiency, by the altered turnover of nucleic acids typical of these diseases. (PMID 9069642). KEIO_ID M042
N-formylanthranilic acid
Formylanthranilic acid is a polar acid metabolite of anthranilic acid, occasionally found in human urine. (PMID 7320161) [HMDB] Formylanthranilic acid is a polar acid metabolite of anthranilic acid, occasionally found in human urine. (PMID 7320161).
4-Pyridoxolactone
4-Pyridoxolactone is a bacterial oxidation metabolite of vitamin B6 (KEGG) [HMDB] 4-Pyridoxolactone is a bacterial oxidation metabolite of vitamin B6 (KEGG).
5-Pyridoxolactone
5-Pyridoxolactone is a normal human metabolite of vitamin B6 metabolism. (PMIDs 9211301, 14995036) [HMDB] 5-Pyridoxolactone is a normal human metabolite of vitamin B6 metabolism. (PMIDs 9211301, 14995036).
(R)-2-Hydroxy-2H-1,4-benzoxazin-3(4H)-one
(R)-2-Hydroxy-2H-1,4-benzoxazin-3(4H)-one is found in cereals and cereal products. (R)-2-Hydroxy-2H-1,4-benzoxazin-3(4H)-one is a constituent of juvenile wheat (Triticum aestivum). Constituent of juvenile wheat (Triticum aestivum). (R)-2-Hydroxy-2H-1,4-benzoxazin-3(4H)-one is found in wheat and cereals and cereal products.
6-Methoxy-2(3H)-benzoxazolone
6-methoxy-2-benzoxazolinone is a 2-benzoxazolinone that is substituted by a methoxy group at position 6. It has a role as a plant metabolite, a muscle relaxant, an anticonvulsant, an antibacterial agent and an antifungal agent. It is a benzoxazole and an aromatic ether. It is functionally related to a 2-benzoxazolinone. Coixol is a natural product found in Scoparia dulcis, Oceanapia, and other organisms with data available. Isolated from roots of Coix lacryma jobi (Jobs tears) and from seedlings of wheat, corn and rye. 6-Methoxy-2(3H)-benzoxazolone is found in many foods, some of which are cereals and cereal products, corn, alcoholic beverages, and coffee and coffee products. 6-Methoxy-2(3H)-benzoxazolone is found in alcoholic beverages. 6-Methoxy-2(3H)-benzoxazolone is isolated from roots of Coix lacryma jobi (Jobs tears) and from seedlings of wheat, corn and rye. Coixol (6-Methoxy-2-benzoxazolinone;6-MBOA) is a polyphenol extracted from coix (Coix lachryma-jobi?L.var.ma-yuen?Stapf) with antimicrobial and antitumor activities[1]. Coixol (6-Methoxy-2-benzoxazolinone;6-MBOA) is a polyphenol extracted from coix (Coix lachryma-jobi?L.var.ma-yuen?Stapf) with antimicrobial and antitumor activities[1].
1-Methylguanine
1-Methylguanine is a naturally occurring modified purine derived from tRNA, found in elevated levels in the serum and urine of cancer patients (PMID:2413515). Increase of 1-methylguanine in the urine of colorectal tumor bearing patients, has been justified either by a more rapid turnover of nucleic acids in tumor tissue or by an increase in the extent of their methylation (PMID:9069642). Present in Chinese cabbage (Brassica chinensis), and other plants
N2-Methylguanine
N2-Methylguanine is a modified nucleoside. N2-Methylguanine is an endogenous methylated nucleoside found in human fluids; methylated purine bases are present in higher amounts in tumor-bearing patients compared to healthy controls. Human exposure to carcinogenic alkylating agents can lead to the formation of covalently bound adducts in DNA, some of which are excreted in urine as alkylated purines following DNA degrdn. and repair; the N2 position of guanine is one of the major sites for DNA modification by various carcinogens. Measurements of RNA or DNA catabolites in urine can be used as a measure for the metabolism of each of the three major species of RNA. An accumulation of modified ribonucleosides appears in the serum of uremic patients. (PMID: 16527824, 16061253, 8043914, 2428556, 7159514, 9607216) [HMDB] N2-Methylguanine is a modified nucleoside. N2-Methylguanine is an endogenous methylated nucleoside found in human fluids; methylated purine bases are present in higher amounts in tumor-bearing patients compared to healthy controls. Human exposure to carcinogenic alkylating agents can lead to the formation of covalently bound adducts in DNA, some of which are excreted in urine as alkylated purines following DNA degrdn. and repair; the N2 position of guanine is one of the major sites for DNA modification by various carcinogens. Measurements of RNA or DNA catabolites in urine can be used as a measure for the metabolism of each of the three major species of RNA. An accumulation of modified ribonucleosides appears in the serum of uremic patients. (PMID: 16527824, 16061253, 8043914, 2428556, 7159514, 9607216).
Ethiin
Constituent of numerous Allium subspecies Ethiin is found in many foods, some of which are sour cherry, wax gourd, arrowroot, and silver linden. Ethiin is found in onion-family vegetables. Ethiin is a constituent of numerous Allium species.
Noradrenochrome
Noradrenochrome is an aminochrome and is closely related to adrenochrome and dopaminochrome. This compound is present in human brain, induces a combination of neurotoxic and mind-mood altering effect, and is therapeutic for the treatment of schizophrenia. [HMDB] Noradrenochrome is an aminochrome and is closely related to adrenochrome and dopaminochrome. This compound is present in human brain, induces a combination of neurotoxic and mind-mood altering effect, and is therapeutic for the treatment of schizophrenia.
Benzeneacetaldehyde, 4-hydroxy-.alpha.-oxo-, aldoxime
2-hydroxy-6-methylaminopurine|2-hydroxy-N6-methyladenine|6-Methylamino-2-hydroxy-purin|6-methylamino-3,7(9)-dihydro-purin-2-one
2-Amino-3-(2-hydroxy-ethylsulfanyl)-propionic acid
Methionine sulfoxide
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; QEFRNWWLZKMPFJ-UHFFFAOYSA-N_STSL_0131_Methionine sulfoxide_2000fmol_180425_S2_LC02_MS02_81; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.052 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.050 L-Methionine sulfoxide (H-Met(O)-OH), a metabolite of Methionine, induces M1/classical macrophage polarization, and modulates oxidative stress and purinergic signaling parameters[1]. Methionine sulfoxide is an oxidation product of methionine with reactive oxygen species and can be regarded as a biomarker of oxidative stress in vivo. Methionine sulfoxide is an oxidation product of methionine with reactive oxygen species and can be regarded as a biomarker of oxidative stress in vivo.
Phthalamic acid
CONFIDENCE standard compound; INTERNAL_ID 2791 CONFIDENCE standard compound; INTERNAL_ID 8700
H-Met(O)-OH
L-Methionine sulfoxide (H-Met(O)-OH), a metabolite of Methionine, induces M1/classical macrophage polarization, and modulates oxidative stress and purinergic signaling parameters[1].
2-AMINO-5-METHYL-4H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-ONE
(1R,2S)-(-)-2-Amino-1-cyclopentanecarboxylic acid hydrochloride
(1S,2S)-2-Aminocyclopentanecarboxylic acid hydrochloride
(1R,2R)-2-Aminocyclopetanecarboxylic acid hydrochloride
1H-Pyrrole-2-carboxylicacid,3-amino-4-cyano-,methylester(9CI)
(R)-Methyl pyrrolidine-3-carboxylate hydrochloride
3-HYDROXY-4-METHYLAMINOTETRAHYDROTHIOPHENE, 1,1-DIOXIDE
Methyl cis-3-aminocyclobutanecarboxylate hydrochloride (1:1)
CHLORO(DIETHYLAMINO)DIMETHYLSILANE
C6H16ClNSi (165.07404860000003)
6H-Furo[2,3-b]pyrrole-5-carboxylicacid,6-methyl-(9CI)
1H-Imidazo[1,2-b]pyrazole-6-carboxylicacid,2-methyl-(9CI)
(S)-Methyl pyrrolidine-3-carboxylate hydrochloride
2-Cyano-6-fluorophenylboronic acid
C7H5BFNO2 (165.03973520000002)
Methyl 1-aminocyclobutanecarboxylate hydrochloride
(1R,2S)-2-Aminocyclopentanecarboxylic acid hydrochloride
5-CYANO-2-FLUOROBENZENEBORONIC ACID
C7H5BFNO2 (165.03973520000002)
(3-Cyano-5-fluorophenyl)boronic acid
C7H5BFNO2 (165.03973520000002)
3,3-Dimethoxy-2-(hydroxymethylene)propionitrile sodium salt
(4-Cyano-3-fluorophenyl)boronic acid
C7H5BFNO2 (165.03973520000002)
1-Acetyl-2-amino-4,5-dihydro-4-oxo-1H-pyrrole-3-carbonitrile
(1S,3R)-3-AMINOCYCLOPENTANECARBOXYLIC ACID HYDROCHLORIDE
1,5-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
methyl 3-aminocyclobutane-1-carboxylate hydrochloride
1H-Imidazole-5-carboxylic acid,4-(cyanomethyl)-2-methyl-
METHYL 2-(1-AMINOCYCLOPROPYL)ACETATE HYDROCHLORIDE
4-Oxo-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid
(2-Cyano-4-fluorophenyl)boronic acid
C7H5BFNO2 (165.03973520000002)
1-ETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE
Isoxazolo[4,5-d]pyridazin-4(5H)-one,3,7-dimethyl-(9CI)
3-Cyano-4-fluorobenzeneboronic acid
C7H5BFNO2 (165.03973520000002)
methyl trans-3-amino-cyclobutanecarboxylate hydrochloride
2-(AMINOMETHYL)-5-(TRIFLUOROMETHYL)FURAN 971-[5-(TRIFLUOROMETHYL)-2-FURYL]METHYLAMINE
(1s,3s)-methyl 3-aminocyclobutane carboxylate hydrochloride
(1S,2R)-(+)-2-Amino-1-cyclopentanecarboxylic acid hydrochloride
(2S)-5,5-difluoro-2-piperidinecarboxylic acid
C6H9F2NO2 (165.06013180000002)
1H-Pyrazolo[3,4-b]pyridine-3,6(2H,7H)-dione,4-methyl-
Benzeneacetic acid, alpha-amino-3-methyl-, (alphaS)- (9CI)
Azetidin-3-yl-acetic acid methyl ester hydrochloride
piperazine-1-carboxylic acid amide hcl
C5H12ClN3O (165.06688519999997)
1H-Pyrrolizine-3-carboxylicacid,2,3-dihydro-1-oxo-(9CI)
1H-Imidazole-5-carboxylic acid, 4-cyano-, ethyl ester
1,2-DIHYDRO-4-HYDROXY-6-METHYL-3H-PYRAZOLO[3,4-B]PYRIDIN-3-ONE
ethyl 3-amino-4,4-difluorobut-2-enoate
C6H9F2NO2 (165.06013180000002)
Metformin hydrochloride
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98234 - Biguanide Antidiabetic Agent D007004 - Hypoglycemic Agents > D001645 - Biguanides C1892 - Chemopreventive Agent 1,1-Dimethylbiguanide or Metformin is a biguanide hypoglycemic agent used in the treatment of non-insulin-dependent diabetes mellitus not responding to dietary modification. Metformin improves glycemic control by improving insulin sensitivity and decreasing intestinal absorption of glucose. Metformin is the most popular anti-diabetic drug in the United States and one of the most prescribed drugs in the country overall, with nearly 35 million prescriptions filled in 2006 for generic metformin alone. [HMDB] Metformin hydrochloride (1,1-Dimethylbiguanide hydrochloride) inhibits the mitochondrial respiratory chain in the liver, leading to activation of AMPK, enhancing insulin sensitivity for type 2 diabetes research. Metformin hydrochloride triggers autophagy[1].
4-Cyano-2-fluorophenylboronic acid
C7H5BFNO2 (165.03973520000002)
(2E)-4-(Dimethylamino)-2-butenoic acid hydrochloride (1:1)
trans-3-aminocyclopentane-1-carboxylic acid hydrochloride
4-amino-3-methyl-1,2,7,8-tetrazabicyclo[4.3.0]nona-3,6,8-trien-5-one
2,3-dihydro[1,4]dioxino[2,3-c]pyridine-7-carbaldehyde
1-Methyl-3-pyrrolidinecarboxylic acid hydrochloride
2,3-DIHYDRO[1,4]DIOXINO[2,3-B]PYRIDINE-6-CARBALDEHYDE
2,3-Dihydro-[1,4]dioxino[2,3-b]pyridine-7-carbaldehyde
2-(Cyanomethyl)-3-furancarboxylic acid methyl ester
2,5-dimethyl-6H-[1,3]oxazolo[5,4-d]pyrimidin-7-one
2H-Isoindole-1-carboxylicacid,4,5,6,7-tetrahydro-(9CI)
L-Methionine (S)-S-oxide
The (S)-oxido diastereomer of L-methionine S-oxide.
L-Methionine (R)-S-oxide
The (R)-oxido diastereomer of L-methionine S-oxide.
Phenylalanine-d5
A deuterated compound that is phenylalanine in which the five aromatic hydrogens are replaced by deuterium.
Coixol
Coixol (6-Methoxy-2-benzoxazolinone;6-MBOA) is a polyphenol extracted from coix (Coix lachryma-jobi?L.var.ma-yuen?Stapf) with antimicrobial and antitumor activities[1]. Coixol (6-Methoxy-2-benzoxazolinone;6-MBOA) is a polyphenol extracted from coix (Coix lachryma-jobi?L.var.ma-yuen?Stapf) with antimicrobial and antitumor activities[1].
85-91-6
Methyl N-methylanthranilate, a terpene, is a pungent compound that can be found in Citrus reticulate Blanco leaves. Methyl N-methylanthranilate has the potential for pain research[1]. Methyl N-methylanthranilate, a terpene, is a pungent compound that can be found in Citrus reticulate Blanco leaves. Methyl N-methylanthranilate has the potential for pain research[1].
3-(2-Hydroxyphenyl)propanoate
A monocarboxylic acid anion that is obtained by removal of a proton from the carbosylic acid group of 3-(2-hydroxyphenyl)propanoic acid.
3-(3-Hydroxyphenyl)propanoate
A monocarboxylic acid anion that is the conjugate base of 3-(3-hydroxyphenyl)propanoic acid.
Phloretate
A hydroxy monocarboxylic acid anion that is the conjugate base of phloretic acid, arising from deprotonation of the carboxy group.
3-Phenyllactate
A 2-hydroxy carboxylate that results from the removal of a proton from the carboxylic acid group of 3-phenyllactic acid.
(R)-3-Phenyllactate
A (2R)-2-hydroxy monocarboxylic acid anion resulting from the removal of a proton from the carboxylic acid group of (R)-3-phenyllactic acid.
L-Lyxonate
A lyxonate that is the conjugate base of L-lyxonic acid, obtained by the deprotonation of the carboxy group.
Tropate
A hydroxy monocarboxylic acid anion that results from the deprotonation of the carboxylic acid group of tropic acid.
Aminoethylcysteine
D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors
D-lyxonate
A lyxonate that is the conjugate base of D-lyxonic acid, obtained by the deprotonation of the carboxy group.
[(3R)-3-carboxy-3-hydroxypropyl]-dimethylsulfanium
C6H13O3S+ (165.05853679999998)
(S)-3-Phenyllactate
A (2S)-2-hydroxy monocarboxylic acid anion resulting from the removal of a proton from the carboxylic acid group of (S)-3-phenyllactic acid.
(3-Carboxy-3-hydroxypropyl)-dimethylsulfanium
C6H13O3S+ (165.05853679999998)
Tricaine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
N-Formylanthranilic acid
An amidobenzoic acid consisting of anthranilic acid carrying an N-formyl group.
5-Pyridoxolactone
A furopyridine that is furo[3,4-c]pyridin-3(1H)-one substituted by a hydroxy group at position 7 and a methoxy group at position 6. It is a metabolite of vitamin B6.
3-Methylguanine
A 3-methylguanine that is 3,7-dihydro-6H-purin-6-one substituted by an amino group at position 2 and a methyl group at position 3.
Methionine S-oxide
The S-oxide derivative of methionine. It is a biomarker of oxidative stress.
2-Hydroxy-1,4-benzoxazin-3-one
A benzoxazine bearing hydroxy and oxo substituents at positions 2 and 3 respectively.
L-methionine (R)-S-oxide zwitterion
Zwitterionic form of L-methionine (R)-S-oxide.
6-hydroxymethyladenine
A 6-alkylaminopurine that is adenine where one of the hydrogens of the amino group is replaced by a hydroxymethyl group.
2-amino-3-methyl-3,9-dihydro-6H-purin-6-one
A 3-methylguanine that is 3,9-dihydro-6H-purin-6-one substituted by an amino group at position 2 and a methyl group at position 3.
2-imino-3-methyl-1,2,3,9-tetrahydro-6H-purin-6-one
A 3-methylguanine that is 1,2,3,9-tetrahydro-6H-purin-6-one substituted by an imino group at position 2 and a methyl group at position 3.
2-imino-7-methyl-1,2,3,7-tetrahydro-6H-purin-6-one
A 7-methylguanine that is 1,2,3,7-tetrahydro-6H-purin-6-one substituted by an imino group at position 2 and a methyl group at position 7.
2-amino-7-methyl-7H-purin-6-ol
A 7-methylguanine that is 7H-purine substituted by an amino group at position 2, a methyl group at position 7 and a hydroxy group at position 6.
2-amino-7-methyl-1,7-dihydro-6H-purin-6-one
A 7-methylguanine that is 1,7-dihydro-6H-purin-6-one substituted by an amino group at position 2 and a methyl group at position 7.
N(2)-Methylguanine
A methylguanine in which the methyl group is located at the N2-position.
6-methoxy-2-benzoxazolinone
A 2-benzoxazolinone that is substituted by a methoxy group at position 6.
2-aminophenylglyoxylic acid
A 2-oxo monocarboxylic acid that is glyoxylic acid in which the aldehydic hydrogen is replaced by a 2-aminophenyl group.
L-methionine (S)-S-oxide zwitterion
Zwitterionic form of L-methionine (S)-S-oxide.
Vigabatrin (hydrochloride)
Vigabatrin hydrochloride (γ-Vinyl-GABA hydrochloride), a inhibitory neurotransmitter GABA vinyl-derivative, is an orally active and irreversible GABA transaminase inhibitor. Vigabatrin hydrochloride is an antiepileptic agent, which acts by increasing GABA levels in the brain by inhibiting the catabolism of GABA by GABA transaminase[1][2][3].
(2r)-sodium 3-phenyllactate
{"Ingredient_id": "HBIN006555","Ingredient_name": "(2r)-sodium 3-phenyllactate","Alias": "NA","Ingredient_formula": "C9H9O3-","Ingredient_Smile": "C1=CC=C(C=C1)CC(C(=O)[O-])O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "20018","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-hydroxy ethyl benzoate
{"Ingredient_id": "HBIN010538","Ingredient_name": "4-hydroxy ethyl benzoate","Alias": "NA","Ingredient_formula": "C9H9O3-","Ingredient_Smile": "C1=CC(=CC=C1CCO)C(=O)[O-]","Ingredient_weight": "165.17 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38328","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "22257526","DrugBank_id": "NA"}