Exact Mass: 160.0524
Exact Mass Matches: 160.0524
Found 500 metabolites which its exact mass value is equals to given mass value 160.0524,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pimelic acid
Pimelic acid, also known as heptanedioic acid is a dicarboxylic acid. Derivatives of pimelic acid are involved in the biosynthesis of the amino acid called lysine. Pimelic acid is one methylene longer than a related dicarboxylic acid, adipic acid, a precursor to many polyesters and polyamides. Pimelic acid is essential for the synthesis of biotin (also called vitamin B7). Biotin is a heterocyclic, S-containing monocarboxylic acid that is made from two precursors, alanine and pimeloyl-CoA. Biotin is important in fatty acid synthesis, branched-chain amino acid catabolism, and gluconeogenesis. Biotin is found in a wide range of foods. Likewise, intestinal bacteria synthesize biotin, which is then absorbed by the host animal. Pimelic acid (which is the precursor for pimeloyl-CoA) is synthesized in many bacteria via a head-to-tail incorporation of acetate units through a modified fatty acid synthetic pathway using O-methyl esters disguised to resemble the canonical intermediates of the fatty acid synthetic pathway (PMID:21435937). Some bacteria and yeast synthesize pimelic acid not by biosynthesis, but via cleavage of longer chain fatty acids (such as linolenic acid) via a cytochrome P450-like enzyme (PMID:28196402, 21435937, 3236079). Pimelic acid is excreted in elevated amounts in the urine of individuals with mitochondrial beta-oxidation disorders and peroxisomal beta oxidation disorders (PMID:1527989) A group of compounds that are derivatives of heptanedioic acid with the general formula R-C7H11O4. KEIO_ID P063 Pimelic acid is the organic compound and its derivatives are involved in the biosynthesis of the amino acid called lysine. Pimelic acid is the organic compound and its derivatives are involved in the biosynthesis of the amino acid called lysine.
2-Oxoadipic acid
2-Oxoadipic acid is produced from lysine in the cytosol of cells via the saccharopine and the pipecolic acid pathways. Catabolites of hydroxylysine and tryptophan enter these pathways as 2-aminoadipic- -semialdehyde and 2-oxoadipate, respectively. In the matrix of mitochondria, 2-oxoadipate is decarboxylated to glutaryl-CoA by the 2-oxoadipate dehydrogenase complex and then converted to acetyl-CoA. 2-Oxoadipic aciduria is an in-born error of metabolism of lysine, tryptophan, and hydroxylysine, in which abnormal quantities of 2-aminoadipic acid are found in body fluids along with 2-oxoadipic acid. Patients with 2-Oxoadipic acidemias are mentally retarded with hypotonia or seizures. 2-Oxoadipic aciduria can occur in patients with Kearns-Sayre Syndrome, a progressive disorder with onset prior to 20 years of age in which multiple organ systems are affected, including progressive external ophthalmoplegia, retinopathy, and the age of onset, and these are associated classically with abnormalities in cardiac conduction, cerebellar signs, and elevated cerebrospinal fluid protein (PMID: 10655159, 16183823, 11083877). Oxoadipic acid is found to be associated with alpha-aminoadipic aciduria, which is an inborn error of metabolism. Present in pea seedlings KEIO_ID K009 Oxoadipic acid is a key metabolite of the essential amino acids tryptophan and lysine.
Naphthalene-1,2-diol
This compound belongs to the family of Naphthols and Derivatives. These are hydroxylated naphthalenes.
3-Oxoadipic acid
3-Oxoadipic acid is a regularly occurring Adipic dicarboxylic acid human metabolite found occasionally in biofluids of healthy individuals. (PMIDs 8340451, 1769109, 2338430) Increased amounts of 3-Oxoadipic acid are excreted after ingestion of Sebacic acid, supporting the hypothesis that dicarboxylic acids are degraded by ordinary beta-oxidation. (PMID 3220884) [HMDB] 3-Oxoadipic acid is a regularly occurring Adipic dicarboxylic acid human metabolite found occasionally in biofluids of healthy individuals. (PMIDs 8340451, 1769109, 2338430) Increased amounts of 3-Oxoadipic acid are excreted after ingestion of Sebacic acid, supporting the hypothesis that dicarboxylic acids are degraded by ordinary beta-oxidation. (PMID 3220884).
Tricholomic acid
Tricholomic acid is found in mushrooms. Tricholomic acid is a constituent of the mushroom Tricholoma muscarium. Said to be useful as a flavouring substance Constituent of the mushroom Tricholoma muscarium. Said to be useful as a flavouring substance. Tricholomic acid is found in mushrooms.
(Z)-2-methylureidoacrylate peracid
(z)-2-methyl-ureidoacrylate peracid, also known as (Z)-2-methylureidoperacrylic acid, is a member of the class of compounds known as peroxycarboxylic acids. Peroxycarboxylic acids are organic acids with the general formula [H]OOC(R)=O (R = H, organyl group) (z)-2-methyl-ureidoacrylate peracid is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). (z)-2-methyl-ureidoacrylate peracid can be found in a number of food items such as pepper (spice), narrowleaf cattail, sweet rowanberry, and european plum, which makes (z)-2-methyl-ureidoacrylate peracid a potential biomarker for the consumption of these food products (z)-2-methyl-ureidoacrylate peracid may be a unique E.coli metabolite.
6-Methylcoumarin
6-methylcoumarin appears as white crystals with a flavor of vanilla. Insoluble in water. (NTP, 1992) 6-methylcoumarin is a member of the class of coumarins that is coumarin in which the hydrogen at position 6 is replaced by a methyl group. It has a role as a fragrance and an allergen. 6-Methylcoumarin is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") A member of the class of coumarins that is coumarin in which the hydrogen at position 6 is replaced by a methyl group.
2,2-Dimethylglutaric acid
2,2-Dimethylglutaric acid belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present.
3,3-Dimethylglutaric acid
3,3-Dimethylglutaric acid is a compound that has occasionally found in human urine. (PMID: 699273) [HMDB] 3,3-Dimethylglutaric acid is a compound that has occasionally found in human urine. (PMID: 699273). 3,3-Dimethylglutaric acid, a member of methyl-branched fatty acids, is a endogenous metabolite occasionally found in human urine[1].
3-methyladipate
3-Methyladipic acid is a metabolite of the catabolism of phytanic acid. Patients with adult Refsums disease (ARD) are unable to detoxify phytanic acid by alpha-oxidation, and so the w-oxidation pathway is the only metabolic pathway available for phytanic acid degradation. This pathway produces 3-methyladipic acid as the final metabolite, which is excreted in the urine (Wanders et al. 2001). Activity of the w-oxidation pathway is approximately doubled in ARD patients compared with normal individuals (PMID: 11948235). [HMDB] 3-Methyladipic acid is a metabolite of the catabolism of phytanic acid. Patients with adult Refsums disease (ARD) are unable to detoxify phytanic acid by alpha-oxidation, and so the w-oxidation pathway is the only metabolic pathway available for phytanic acid degradation. This pathway produces 3-methyladipic acid as the final metabolite, which is excreted in the urine (Wanders et al. 2001). Activity of the w-oxidation pathway is approximately doubled in ARD patients compared with normal individuals (PMID: 11948235). 3-Methyladipic acid is the final metabolite in the ω-oxidation pathway.
Diethyl malonate
Diethyl malonate, also known as dicarbethoxymethane or ethyl propanedioate, belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. Diethyl malonate is a sweet, apple, and fruity tasting compound. Diethyl malonate has been detected, but not quantified, in a few different foods, such as alcoholic beverages, evergreen blackberries, and fruits. Like other esters, this compound can undergo bromination at the alpha position. Fischer esterification gives diethyl malonate: One of the principal uses of this compound is in the malonic ester synthesis. It occurs naturally in grapes and strawberries as a colourless liquid with an apple-like odour, and is used in perfumes. Malonic acid is a rather simple dicarboxylic acid, with the two carboxyl groups close together. The hydrogen atoms on a carbon adjacent to two carbonyl groups are even more acidic because the carbonyl groups help stabilize the carbanion resulting from the removal of that proton. Like many other esters, this compound can undergo the Claisen ester condensation. This alkylated 1,3-dicarbonyl compound (3) readily undergoes decarboxylation with loss of carbon dioxide, to give a substituted acetic acid, using Sodium ethoxide as the preferred base. The use of aqueous sodium hydroxide may give the base hydrolysis products: sodium malonate and ethanol. Diethyl malonate is a flavouring ingredient. It is a rather simple dicarboxylic acid, with two carboxyl groups close together in its molecule. In forming diethyl malonate from malonic acid, the hydroxyl group (-OH) on both of the carboxyl groups is replaced by an ethoxy group (-OEt; -OCH2CH3). The methylene group (-CH2-) in the middle of the malonic part of the diethyl malonate molecule is neighboured by two carbonyl groups (-C(=O)-). Diethyl malonate is found in alcoholic beverages such as wines, and in fruits such as guava, melon, concord grape, pineapple, blackberry.
2-Methyl-4-oxopentanedioic acid
2-Methyl-4-oxopentanedioic acid is found in fruits. 2-Methyl-4-oxopentanedioic acid is a constituent of Tamarindus indica (tamarind). Constituent of Tamarindus indica (tamarind). 2-Methyl-4-oxopentanedioic acid is found in fruits.
Mono-methyl-adipate
mono-methyl-adipate, or monomethyl adipate (CAS Number: 627-91-8), is a clear colorless liquid with a low (7-9 C) melting point and 162 C boiling point.
Viburtinal
Viburtinal is found in fruits. Viburtinal is produced from the hydrolysis of esters present in Viburnum opulus (cranberry bush Production from the hydrolysis of esters present in Viburnum opulus (cranberry bush). Viburtinal is found in fruits.
2-Naphthalenethiol
2-Naphthalenethiol is a flavouring ingredien Flavouring ingredient
7-Methyl-2-benzofurancarboxaldehyde
7-Methyl-2-benzofurancarboxaldehyde is a flavour enhancer for coffee. Flavour enhancer for coffee
Propyleneglycol diacetate
Propyleneglycol diacetate is found in Cucumis melo [Goodscents]. Found in Cucumis melo [Goodscents]
Thymine glycol
Thymine glycol belongs to the family of Hydropyrimidines. These are compounds containing an hydrogenated pyrimidine ring (i.e containing less than the maximum bumber of double bonds.).
2-Ethylglutaric acid
2-Ethylglutaric acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.
Ethyl methyl_succinate
Ethyl methyl_succinate belongs to the family of Fatty Acid Esters. These are carboxylic ester derivatives of a fatty acid.
2-Methyl-4(3H)-quinazolinone
2-Methylquinazolin-4-ol is a potent competitive poly(ADP-ribose) synthetase inhibitor, with a Ki of 1.1 μM. 2-Methylquinazolin-4-ol mammalian aspartate transcarbamylase (ATCase) inhibitor, with 0.20 mM[1][2]. 2-Methylquinazolin-4-ol is a potent competitive poly(ADP-ribose) synthetase inhibitor, with a Ki of 1.1 μM. 2-Methylquinazolin-4-ol mammalian aspartate transcarbamylase (ATCase) inhibitor, with 0.20 mM[1][2].
2-(2-Hydroxyphenyl) cyclopropanecarboxylic acid delta lactone
It is used as a food additive .
(2R,3S)-2,3-dimethylmalate
(2r,3s)-2,3-dimethylmalate is soluble (in water) and a weakly acidic compound (based on its pKa). (2r,3s)-2,3-dimethylmalate can be found in a number of food items such as pepper (c. frutescens), oregon yampah, green bean, and red raspberry, which makes (2r,3s)-2,3-dimethylmalate a potential biomarker for the consumption of these food products.
1,8-Naphthalenediol
A member of the class of naphthalenediols that is naphthalene in which the hydrogens at positions 1 and 8 are replaced by hydroxy groups.
Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran-2(3H)-one
5-(1,2,4-Hexatrienylidene)-2(5H)-furanone|gamma-(Hexatrien-(1.2.4)-yliden)-butyrolacton|gamma--butyrolacton
2,8-Decadiene-4,6-diynoic acid-(2Z,8Z)-form|2c,8c-Matricariasaeure|cis,cis-Matricariasaeure|cis.cis-Matricariasaeure|Deca-2c,8c-dien-4,6-diinsaeure|deca-2c,8c-diene-4,6-diynoic acid
5,6-Dihydro-3,5-dihydroxy-6-hydroxymethyl-2H-pyran-2-one
Dec-2t-en-4,6,8-triin-1,10-diol|dec-2t-ene-4,6,8-triyne-1,10-diol|trans-Decen-2-en-4,6,8-triyn-1,10-diol
Nona-3,4-dien-6,8-diin-1-saeuremethylester|Octa-2,3-dien-5,7-diin-1-carbonsaeure-methylester
6-Methylcoumarin
[Raw Data] CB063_6-Methylcoumarin_pos_50eV_CB000027.txt [Raw Data] CB063_6-Methylcoumarin_pos_40eV_CB000027.txt [Raw Data] CB063_6-Methylcoumarin_pos_30eV_CB000027.txt [Raw Data] CB063_6-Methylcoumarin_pos_20eV_CB000027.txt [Raw Data] CB063_6-Methylcoumarin_pos_10eV_CB000027.txt
Oxoadipic acid
An oxo dicarboxylic acid that is adipic acid substituted by an oxo group at position 2. Oxoadipic acid is a key metabolite of the essential amino acids tryptophan and lysine.
3-ketoadipate
An oxo dicarboxylic acid consisting of adipic acid having a single oxo group at the 3-position.
2-methylquinazolin-4-ol
2-Methylquinazolin-4-ol is a potent competitive poly(ADP-ribose) synthetase inhibitor, with a Ki of 1.1 μM. 2-Methylquinazolin-4-ol mammalian aspartate transcarbamylase (ATCase) inhibitor, with 0.20 mM[1][2]. 2-Methylquinazolin-4-ol is a potent competitive poly(ADP-ribose) synthetase inhibitor, with a Ki of 1.1 μM. 2-Methylquinazolin-4-ol mammalian aspartate transcarbamylase (ATCase) inhibitor, with 0.20 mM[1][2].
Oxoadipate
Oxoadipic acid is a key metabolite of the essential amino acids tryptophan and lysine.
2,2-DIMETHYLGLUTARIC ACID
An alpha,omega-dicarboxylic acid that is pentanedioic acid with two methyl groups substituted at position C-2.
3,3-Dimethylglutarate
3,3-Dimethylglutaric acid, a member of methyl-branched fatty acids, is a endogenous metabolite occasionally found in human urine[1].
Thiophene, 2,5-dihydro-2-(1-methylethyl)-, 1,1-dioxide (9CI)
7-Methylcoumarin
7-Methylcoumarin, a coumarin, exhibits strong hepatoprotective activity and potent antioxidant effect[1].
Methylchromone
C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent
1-(3-METHYL-1H-PYRAZOL-4-YL)ETHANONE HYDROCHLORIDE
3,6-Dihydro-3-methyl-N-nitro-2H-1,3,5-oxadiazin-4-amine
2H-Thiopyran-4-carboxylicacid,tetrahydro-,methylester(9CI)
1-Methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxaldehyde
1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carbonitrile
5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carbonitrile
1,3,5-triazine-2,4,6-triamine, compound with hydrogen peroxide (1:1)
4,5,6,7-TETRAHYDRO-[1,2,3]TRIAZOLO[1,5-A]PYRAZINE HYDROCHLORIDE
1H-1,2,4-Triazolo[4,3:1,5]pyrazolo[4,3-d]pyrimidine (9CI)
5-Methyl-6-oxo-1,6-dihydropyrazine-2,3-dicarbonitrile
3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonitrile
3-methyl-1-benzofuran-2-carbaldehyde(SALTDATA: FREE)
2-(chloromethyl)-4,5-dimethyl-3,6-dihydro-2h-pyran
Thiophene, 2,5-dihydro-3-(1-methylethyl)-, 1,1-dioxide (9CI)
5-(difluoromethyl)-1-methylpyrazole-4-carbaldehyde
7-oxo-4,7-dihydro-pyrazolo[1,5-a]pyrimidine-6-carbonitrile
1,4,6,7-tetrahydropyrano[4,3-c]pyrazole hydrochloride
4,5,6,7-Tetrahydroisoxazolo[4,5-c]pyridine hydrochloride
Pyrazolo[1,5-a]pyrimidine-3-carbonitrile,4,7-dihydro-7-oxo-
4-amino-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione
5-Oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
(2R,3R)-3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one
2-Oxatricyclo[5.4.0.0,3,5]undeca-1(11),7,9-trien-6-one
(2R,4S)-4-amino-5-hydroxy-2-methyl-5-oxopentanoate
2-(2-Hydroxyphenyl) cyclopropanecarboxylic acid delta lactone
It is used as a food additive .
Indole-3-carboxylate
A monocarboxylic acid anion resulting from the deprotonation of the carboxyl group of indole-3-carboxylic acid.
N-methyl-L-glutamate(1-)
An L-alpha-amino acid anion resulting from deprotonation of the carboxy groups and protonation of the secondary amino group of N-methyl-L-glutamic acid.
2-Amino-4-formylaminooxy-but-3e-enoic acid
A natural product found particularly in Pseudomonas fluorescens and Pseudomonas fluorescens Pf0-1.
(2S)-amino[(5S)-3-Oxoisoxazolidin-5-yl]acetic acid
trans-2,3-Epoxydeca-4,6,8-triyn-1-ol
An epoxide substituted at position 2 by a hydroxymethyl group and at position 3 by a hepta-1,3,5-triyn-1-yl group (the 2S,3S)-diastereomer. It is isolated from Trametes pubescens and exhibits antifungal properties.
3,4-Benzo-2-oxabicyclo(4.1.0)hept-3-EN-5-one(7,7-D2)
N-formimidoyl-L-aspartic acid
An aspartic acid derivative that is the N-formimidoyl derivative of L-aspartic acid.
(4R,5S,6R)-2,4,5,6-tetrahydroxycyclohex-2-en-1-one
2,4-didehydro-3-deoxy-L-rhamnonic acid
A ketoaldonic acid that is rhamnonic acid which is lacking the 3-hydroxy group, while those at positions 2 and 4 have been oxidised to the corresponding ketones.
2,2-iminodipropanoate(1-)
Conjugate base of 2,2-iminodipropanoic acid having both carboxy groups in anionic form and the nitrogen protonated.
3-hydroxy-3-methylglutarate(2-)
A dicarboxylic acid dianion that results from the removal of a proton from both of the carboxylic acid groups of 3-hydroxy-3-methylglutaric acid.
2-amino-4-{[(hydroxymethylidene)amino]oxy}but-3-enoic acid
1,2-hydronaphthoquinone
{"Ingredient_id": "HBIN000865","Ingredient_name": "1,2-hydronaphthoquinone","Alias": "NA","Ingredient_formula": "C10H8O2","Ingredient_Smile": "C1=CC=C2C(=C1)C(=CC=C2O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9723","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,4-hydronaphthoquinone
{"Ingredient_id": "HBIN001461","Ingredient_name": "1,4-hydronaphthoquinone","Alias": "NA","Ingredient_formula": "C10H8O2","Ingredient_Smile": "C1=CC=C2C(=C1)C(=CC=C2O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9724","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-Methylcoumarin
{"Ingredient_id": "HBIN008925","Ingredient_name": "3-Methylcoumarin","Alias": "3-methyl-2-chromenone; 5-17-10-00165 (Beilstein Handbook Reference); BRN 0122776; EINECS 219-498-8; 3-methylchromen-2-one; Coumarin, methyl-; NCIOpen2_000275; EINECS 215-592-8; 2H-1-Benzopyran-2-one, 3-methyl- (9CI); 2H-1-Benzopyran-2-one, methyl-; 3-Methyl-2H-1-benzopyran-2-one; 2445-82-1; 1333-47-7; Methyl-2-benzopyrone; 2H-1-Benzopyran-2-one, 3-methyl-; Coumarin, 3-methyl-; NSC 65664; NSC65664","Ingredient_formula": "C10H8O2","Ingredient_Smile": "CC1=CC2=CC=CC=C2OC1=O","Ingredient_weight": "160.17 g/mol","OB_score": "19.66346276","CAS_id": "1333-47-7","SymMap_id": "SMIT04320","TCMID_id": "NA","TCMSP_id": "MOL001994","TCM_ID_id": "NA","PubChem_id": "17130","DrugBank_id": "NA"}
