Exact Mass: 160.0736
Exact Mass Matches: 160.0736
Found 500 metabolites which its exact mass value is equals to given mass value 160.0736,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
D-Alanyl-D-alanine
The ATP-dependent carboxylate-amine/thiol ligase superfamily is known to contain enzymes catalyzing the formation of various types of peptide, one of which is d-alanyl-d-alanine.(PMID: 16030213). The glycopeptide antibiotic vancomycin acts by binding to the D-alanyl-D-alanine terminus of the cell wall precursor lipid II in the cytoplasmic membrane.(PMID: 17418637). D-alanine-D-alanine ligase from Thermotoga maritima ATCC 43589 (TmDdl) was a useful biocatalyst for synthesizing D-amino acid dipeptides.D-Alanine-D-alanine ligase (Ddl) catalyzes the biosynthesis of an essential bacterial peptidoglycan precursor D-alanyl-D-alanine and it represents an important target for development of new antibacterial drugs. (PMID: 17267218). D-Alanyl-D-alanine is a microbial metabolite. Alanyl-alanine, also known as ala-ala or A-a dipeptide, is a member of the class of compounds known as dipeptides. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Alanyl-alanine is soluble (in water) and a weakly acidic compound (based on its pKa). Alanyl-alanine can be found in chives, which makes alanyl-alanine a potential biomarker for the consumption of this food product. Alanyl-alanine can be found primarily in feces. Alanyl-alanine exists in all living organisms, ranging from bacteria to humans. Acquisition and generation of the data is financially supported in part by CREST/JST. D-Ala-D-Ala constitutes the terminus of the peptide part of the peptidoglycan monomer unit and is involved in the transpeptidation reaction as the substrate. D-Ala-D-Ala is catalyzed by D-Alanine-D-Alanine ligase. D-Ala-D-Ala is a bacterial endogenous metabolite[1][2].
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.
Daminozide
D006133 - Growth Substances > D010937 - Plant Growth Regulators CONFIDENCE standard compound; INTERNAL_ID 2629 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals KEIO_ID D173 Daminozide, a plant growth regulator, is a selective inhibitor of the human KDM2/7 histone demethylases, with IC50s of 0.55, 1.5 and 2.1 μM for PHF8, KDM2A, and KIAA1718, respectively. Daminozide has >100-fold selectivity for KDM2/7 subfamily versus other demethylase subfamily members tested[1][2].
Hydralazine
Hydralazine is only found in individuals that have used or taken this drug. It is a direct-acting vasodilator that is used as an antihypertensive agent. [PubChem]Although the precise mechanism of action of hydralazine is not fully understood, the major effects are on the cardiovascular system. Hydralazine apparently lowers blood pressure by exerting a peripheral vasodilating effect through a direct relaxation of vascular smooth muscle. It has also been suggested that cyclic 3,5-adenosine monophosphate (cyclic AMP) mediates, at least partly, the relaxation of arterial smooth muscle by altering cellular calcium metabolism, which interferes with the calcium movements within the vascular smooth muscle that are responsible for initiating or maintaining the contractile state. In hypertensive patients, the hydralazine-induced decrease in blood pressure is accompanied by increased heart rate, cardiac output, and stroke volume, probably because of a reflex response to decreased peripheral resistance. The drug has no direct effect on the heart. Hydralazine may increase pulmonary arterial pressure, as well as coronary, splanchnic, cerebral, and renal blood flow. The preferential dilatation of arterioles, as compared to veins, minimizes postural hypotension and promotes the increase in cardiac output. Hydralazine usually increases renin activity in plasma, presumably as a result of increased secretion of renin by the renal juxtaglomerular cells in response to reflex sympathetic discharge. This increase in renin activity leads to the production of angiotensin II, which then causes stimulation of aldosterone and consequent sodium reabsorption. Tolerance to the antihypertensive effect of the drug develops during prolonged therapy, especially if a diuretic is not administered concurrently. In patients with CHF, hydralazine decreases systemic vascular resistance and increases cardiac output. C - Cardiovascular system > C02 - Antihypertensives > C02D - Arteriolar smooth muscle, agents acting on > C02DB - Hydrazinophthalazine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
4-Acetamido-2-aminobutanoic acid
4-Acetamido-2-aminobutanoic acid is found in sugar bee
Daminozide
Succinic acid 2,2-dimethylhydrazide appears as odorless white crystals or powder. (NTP, 1992) Daminozide is a straight-chain fatty acid. Daminozide — also known as Alar, Kylar, B-NINE, DMASA, SADH, or B 995 — is a plant growth regulator, a chemical sprayed on fruit to regulate their growth, make their harvest easier, and keep apples from falling off the trees before they are ripe. This makes sure they are red and firm for storage. Alar was first approved for use in the U.S. in 1963, it was primarily used on apples until 1989 when it was voluntarily withdrawn by the manufacturer after the U.S. Environmental Protection Agency proposed banning it based on unacceptably high cancer risks to consumers. D006133 - Growth Substances > D010937 - Plant Growth Regulators D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals Daminozide, a plant growth regulator, is a selective inhibitor of the human KDM2/7 histone demethylases, with IC50s of 0.55, 1.5 and 2.1 μM for PHF8, KDM2A, and KIAA1718, respectively. Daminozide has >100-fold selectivity for KDM2/7 subfamily versus other demethylase subfamily members tested[1][2].
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.
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.
Alanylalanine
Alanyl-alanine, also known as ala-ala or A-a dipeptide, is a member of the class of compounds known as dipeptides. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Alanyl-alanine is soluble (in water) and a weakly acidic compound (based on its pKa). Alanyl-alanine can be found in chives, which makes alanyl-alanine a potential biomarker for the consumption of this food product. Alanyl-alanine can be found primarily in feces. Alanyl-alanine exists in all living organisms, ranging from bacteria to humans. Alanylalanine is a dipeptide composed of two alanine residues. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
3-Methyl-4-phenyl-3-buten-2-one
(E)-3-Methyl-4-phenyl-3-buten-2-one is a flavouring ingredien It is used as a food additive .
2-Phenyl-4-pentenal
(±)-2-Phenyl-4-pentenal is a flavouring ingredient. It is used as a food additive
3-Phenyl-4-pentenal
3-Phenyl-4-pentenal is a flavouring ingredient. Flavouring ingredient
Propyleneglycol diacetate
Propyleneglycol diacetate is found in Cucumis melo [Goodscents]. Found in Cucumis melo [Goodscents]
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.
d-Alanyl-l-alanine
The ATP-dependent carboxylate-amine/thiol ligase superfamily is known to contain enzymes catalyzing the formation of various types of peptide, one of which is d-alanyl-d-alanine.(PMID: 16030213); ; The glycopeptide antibiotic vancomycin acts by binding to the D-alanyl-D-alanine terminus of the cell wall precursor lipid II in the cytoplasmic membrane.(PMID: 17418637); ; D-alanine-D-alanine ligase from Thermotoga maritima ATCC 43589 (TmDdl) was a useful biocatalyst for synthesizing D-amino acid dipeptides.D-Alanine-D-alanine ligase (Ddl) catalyzes the biosynthesis of an essential bacterial peptidoglycan precursor D-alanyl-D-alanine and it represents an important target for development of new antibacterial drugs. (PMID: 17267218). D-Alanyl-D-alanine is found in rice. D-Ala-D-Ala constitutes the terminus of the peptide part of the peptidoglycan monomer unit and is involved in the transpeptidation reaction as the substrate. D-Ala-D-Ala is catalyzed by D-Alanine-D-Alanine ligase. D-Ala-D-Ala is a bacterial endogenous metabolite[1][2].
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].
N-Nitroso(2-hydroxypropyl)(2-oxopropyl)amine
D009676 - Noxae > D002273 - Carcinogens
Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran-2(3H)-one
(+-)-Undeca-5,6-dien-8,10-diin-1-ol|(+-)-Undeca-5.6-dien-8.10-diyn-1-ol|(-)-5,6-Undecadiene-8,10-diyn-1-ol|(Ra)-undeca-5,6-diene-8,10-diyn-1-ol|Undeca-5,6-dien-8,10-diin-1-ol|undeca-5,6-diene-8,10-diyn-1-ol
methyl (1R,3R,4S,5R)-3,6-anhydro-2-deoxyhexofuranoside
Me glycoside-3, 6-Dideoxy-erythro-hexopyranos-4-ulose
2-Hydroperoxypropionic acid 2-methyl-2-propenyl ester
H-Ala-Ala-OH
A dipeptide consisting of two L-alanine units joined by a peptide linkage. CONFIDENCE standard compound; ML_ID 46
D-Ala-D-ala
D-Ala-D-Ala constitutes the terminus of the peptide part of the peptidoglycan monomer unit and is involved in the transpeptidation reaction as the substrate. D-Ala-D-Ala is catalyzed by D-Alanine-D-Alanine ligase. D-Ala-D-Ala is a bacterial endogenous metabolite[1][2].
3-METHYLADIPIC ACID
An alpha,omega-dicarboxylic acid that is adipic acid substituted with a methyl group at position C-3. CONFIDENCE standard compound; INTERNAL_ID 158 3-Methyladipic acid is the final metabolite in the ω-oxidation pathway.
pimelic acid
An alpha,omega-dicarboxylic acid that is pentane with two carboxylic acid groups at positions C-1 and C-5. 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-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].
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].
3,6-Dihydro-3-methyl-N-nitro-2H-1,3,5-oxadiazin-4-amine
1-Methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxaldehyde
3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carbonitrile
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)
(S)-5-(2-HYDROXYETHYL)-2,2-DIMETHYL-1,3-DIOXOLAN-4-ONE
1H-Imidazole-4,5-dicarbonitrile,2-(1-methylethyl)-(9CI)
3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonitrile
2-(chloromethyl)-4,5-dimethyl-3,6-dihydro-2h-pyran
(R)-(+)-2,2-DIMETHYL-1,3-DIOXOLANE-4-CARBOXYLIC ACID METHYL ESTER
Trimethylene acetate
An acetate ester obtained by the formal condensation of the two hydroxy groups of propane-1,3-diol with acetic acid.
1,5-Anhydro-2,3-dideoxy-2-(methoxycarbonyl)-erythropentitol
2(1H)-Pyrimidinone,tetrahydro-1,3-bis(hydroxymethyl)-
2-methyl-L-glutamine
A non-proteinogenic L-alpha-amino acid that is L-glutamine substituted by a methyl group at position 2.
(2R,4S)-4-amino-5-hydroxy-2-methyl-5-oxopentanoate
5-Hydroxyamino-3-methyl-pyrrolidine-2-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.
N-ethyl-L-asparagine
An optically active form of N-ethylasparagine having L-configuration.
(4Z)-2-methyl-4-(2-methylprop-2-enylidene)cyclohexa-2,5-dien-1-one
hydralazine
C - Cardiovascular system > C02 - Antihypertensives > C02D - Arteriolar smooth muscle, agents acting on > C02DB - Hydrazinophthalazine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
D-Alanyl-D-alanine
A dipeptide comprising D-alanine with a D-alanyl residue attached to the alpha-nitrogen. It is a component of bacterial peptidoglycan and forms an important target for development of antibacterial drugs . D-Ala-D-Ala constitutes the terminus of the peptide part of the peptidoglycan monomer unit and is involved in the transpeptidation reaction as the substrate. D-Ala-D-Ala is catalyzed by D-Alanine-D-Alanine ligase. D-Ala-D-Ala is a bacterial endogenous metabolite[1][2].
(2S)-2-acetamido-4-aminobutanoic acid
An N-acetyl-L-amino that is the N(2)-acetyl derivative of L-2,4-diaminobutyric acid.
(1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylic acid
2,2-iminodipropanoate(1-)
Conjugate base of 2,2-iminodipropanoic acid having both carboxy groups in anionic form and the nitrogen protonated.
(2S)-2-acetamido-4-aminobutanoic acid zwitterion
An amino acid zwitterion obtained by transfer of a proton from the amino to the carboxy group of (2S)-2-acetamido-4-aminobutanoic acid; major species at pH 7.3.
3,3-DIMETHYLGLUTARIC ACID
An alpha,omega-dicarboxylic acid that is glutaric acid substituted by two methyl groups at the C-3 position. 3,3-Dimethylglutaric acid, a member of methyl-branched fatty acids, is a endogenous metabolite occasionally found in human urine[1].
Monomethyl adipate
A dicarboxylic acid monoester that is the monomethyl ester of adipic acid.
N-ethylasparagine
A dicarboxylic acid monoamide that is asparagine in which one of the hydrogens attached to the nitrogen of the alpha-amino group is replaced by an ethyl group.
D-alanyl-D-alanine zwitterion
A dipeptide zwitterion that is the zwitterionic form of D-alanyl-D-alanine arising from migration of a proton from the OH of the carboxy terminus to the amino terminus.
N(5)-methyl-L-glutamine zwitterion
The amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of N(5)-methyl-L-glutamine; major species at pH 7.3.
Ala-Ala zwitterion
A dipeptide zwitterion resulting from the transfer of a proton from the carboxy to the amino group of Ala-Ala; major species at pH 7.3.
