Exact Mass: 129.0578
Exact Mass Matches: 129.0578
Found 83 metabolites which its exact mass value is equals to given mass value 129.0578,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Isoquinoline
Isoquinoline is a flavouring agent Being an analog of pyridine, isoquinoline is a weak base, with a pKb of 8.6. It protonates to form salts upon treatment with strong acids, such as HCl. It forms adducts with Lewis acids, such as BF3. Isoquinoline is a colorless hygroscopic liquid at room temperature with a penetrating, unpleasant odor. Impure samples can appear brownish, as is typical for nitrogen heterocycles. It crystallizes platelets that have a low solubility in water but dissolve well in ethanol, acetone, diethyl ether, carbon disulfide, and other common organic solvents. It is also soluble in dilute acids as the protonated derivative. Isoquinoline is a heterocyclic aromatic organic compound. It is a structural isomer of quinoline. Isoquinoline and quinoline are benzopyridines, which are composed of a benzene ring fused to a pyridine ring. In a broader sense, the term isoquinoline is used to make reference to isoquinoline derivatives. 1-Benzylisoquinoline is the structural backbone in naturally occurring alkaloids including papaverine and morphine. The isoquinoline ring in these natural compound derives from the aromatic amino acid tyrosine Flavouring agent KEIO_ID I067
Quinoline
Quinoline is an alkaloid from various plant species including Mentha species. Also present in cocoa, black tea and scotch whiskey. Quinoline is a flavouring ingredient Quinoline is a heterocyclic aromatic organic compound. It has the formula C9H7N and is a colourless hygroscopic liquid with a strong odour. Aged samples, if exposed to light, become yellow and later brown. Quinoline is only slightly soluble in cold water but dissolves readily in hot water and most organic solvents. Quinoline is found in alcoholic beverages. Quinoline is mainly used as a building block to other specialty chemicals. Approximately 4 tonnes are produced annually according to a report published in 2005.[citation needed] Its principal use is as a precursor to 8-hydroxyquinoline, which is a versatile chelating agent and precursor to pesticides. Its 2- and 4-methyl derivatives are precursors to cyanine dyes. Oxidation of quinoline affords quinolinic acid (pyridine-2,3-dicarboxylic acid), a precursor to the herbicide sold under the name "Assert" Alkaloid from various plant subspecies including Mentha subspeciesand is also present in cocoa, black tea and scotch whiskey. Flavouring ingredient CONFIDENCE standard compound; INTERNAL_ID 2526 KEIO_ID Q008
2,5-Dihydro-2,4,5-trimethylthiazole
Flavour constituent of cooked meats. 2,5-Dihydro-2,4,5-trimethylthiazole is found in animal foods. 2,5-Dihydro-2,4,5-trimethylthiazole is found in animal foods. Flavour constituent of cooked meats.
3-Methylene-indolenine
3-Methylene-indolenine is an electrophilic molecule produced by the action of cytochrome P450 2F1 on 3-methylindole (3MI). 3-Methylindole (3MI) is a naturally occurring pulmonary toxin that requires metabolic activation. In particular, 3MI-induced pneumotoxicity arises from cytochrome P-450-catalyzed dehydrogenation of 3MI to an electrophilic methylene imine (3-methyleneindolenine), which covalently binds to cellular macromolecules. Members of the CYP2F gene subfamily are selectively expressed in lung tissues and have been implicated as important catalysts in the formation of reactive intermediates from several pneumotoxic chemicals. (PMID: 10383923) [HMDB] 3-Methylene-indolenine is an electrophilic molecule produced by the action of cytochrome P450 2F1 on 3-methylindole (3MI). 3-Methylindole (3MI) is a naturally occurring pulmonary toxin that requires metabolic activation. In particular, 3MI-induced pneumotoxicity arises from cytochrome P-450-catalyzed dehydrogenation of 3MI to an electrophilic methylene imine (3-methyleneindolenine), which covalently binds to cellular macromolecules. Members of the CYP2F gene subfamily are selectively expressed in lung tissues and have been implicated as important catalysts in the formation of reactive intermediates from several pneumotoxic chemicals. (PMID: 10383923).
Isoamyl isothiocyanate
Isoamyl isothiocyanate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
1-Isothiocyanatopentane
1-Isothiocyanatopentane is found in brassicas. 1-Isothiocyanatopentane is isolated from Japanese radish (Raphanus sativus var. niger) roots. Isolated from Japanese radish (Raphanus sativus variety niger) roots. 1-Isothiocyanatopentane is found in brassicas.
5-(Methylthio)-pentanonitrile
5-(methylthio)-pentanonitrile is a member of the class of compounds known as nitriles. Nitriles are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N. 5-(methylthio)-pentanonitrile can be found in kohlrabi, which makes 5-(methylthio)-pentanonitrile a potential biomarker for the consumption of this food product.
3-Phenyl-2-propenenitrile
3-phenyl-2-propenenitrile is a member of the class of compounds known as styrenes. Styrenes are organic compounds containing an ethenylbenzene moiety. 3-phenyl-2-propenenitrile is a cassia, cinnamon, and cumin tasting compound found in fig, which makes 3-phenyl-2-propenenitrile a potential biomarker for the consumption of this food product.
4-cyanobutyl methyl sulfide|4-Methylthiobutyl cyanide|5-(methylsulfanyl)pentanenitrile|5-(methylthio)-pentanenitrile|5-(methylthio)pentanenitrile|5-(methylthio)pentanonitrile|5-methylsulfanyl-valeronitrile
3-Methyleneindolenine
An indole that consists of 3H-indole bearing a methylene substituent at position 3.
2,4-Dihydro-5-methoxy-4-methyl-3H-1,2,4-triazol-3-one
1H-Imidazole-4-carboxylicacid,2-amino-4,5-dihydro-(9CI)
Thiazole,4,5-dihydro-2,4,5-trimethyl-, (4R,5S)-rel-
(S)-3-methyl-2-oxovalerate
The conjugate base of (S)-3-methyl-2-oxopentanoic acid. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
alpha-Ketoisocaproate
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
6-Oxohexanoate
A straight-chain fatty acid anion and the conjugate base of 6-oxohexanoic acid, formed by deprotonation of the carboxylic acid group.
5-Oxohexanoate
An oxo fatty acid anion that is the conjugate base of 5-oxohexanoic acid, arising from deprotonation of the carboxy group.
2-Oxohexanoate
A medium-chain fatty acid anion that is the conjugate base of 2-oxohexanoic acid.
4-Methyl-3-oxopentanoate
The monocarboxylic acid anion formed from 3-oxo-4-methylpentanoic acid; principal microspecies at pH 7.3.
4-Methyl-2-oxopentanoate
A 2-oxo monocarboxylic acid anion that is the conjugate base of 4-methyl-2-oxopentanoic acid.
(R)-piperazine-2-carboxylate
Conjugate base of (R)-piperazine-2-carboxylic acid.
(S)-piperazine-2-carboxylate
An alpha-amino-acid anion that is the conjugate base of piperazine-2-carboxylic acid.
3-methyl-2-oxovalerate
A 2-oxo monocarboxylic acid anion that is the conjugate base of 3-methyl-2-oxovaleric acid, arising from deprotonation of the carboxy group; major species at pH 7.3.
2-Phenylpropenal
{"Ingredient_id": "HBIN006323","Ingredient_name": "2-Phenylpropenal","Alias": "2-phenylprop-2-enal; Benzeneacetaldehyde, .alpha.-methylene-; 495-10-3; 2-PHENYLACROLEIN","Ingredient_formula": "C9H7N","Ingredient_Smile": "C=C(C#N)C1=CC=CC=C1","Ingredient_weight": "129.16","OB_score": "30.67538343","CAS_id": "495-10-3","SymMap_id": "SMIT11577","TCMID_id": "NA","TCMSP_id": "MOL010547","TCM_ID_id": "NA","PubChem_id": "521252","DrugBank_id": "NA"}
