Exact Mass: 110.0946
Exact Mass Matches: 110.0946
Found 273 metabolites which its exact mass value is equals to given mass value 110.0946,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Imidazole-4-acetaldehyde
Imidazole-4-acetaldehyde is a naturally occurring aldehyde metabolite of histamine formed by the action of histaminase (E.C. 1.4.3.6), and can be synthesized by oxidation of histidine. Aldehyde dehydrogenase (EC 1.2.1.3) is the only enzyme in the human liver capable of catalyzing dehydrogenation of aldehydes arising via monoamine, diamine, and plasma amine oxidases. NAD-linked dehydrogenation of short chain aliphatic aldehydes has been found in virtually every organ of the mammalian body. Imidazole-4-acetaldehyde is a good substrate for all aldehyde dehydrogenase isozymes. Experimentally, the prebiotic formation of histidine has been accomplished by the reaction of erythrose with formamidine followed by a Strecker synthesis. Imidazole-4-acetaldehyde could have been converted to histidine on the primitive earth by a Strecker synthesis, and several prebiotic reactions could convert imidazole-4-glycol and imidazole-4-ethanol to imidazole-4-acetaldehyde. (PMID: 2071588, 2957640, 11536478). Imidazole-4-acetaldehyde is a member of the class of compounds known as imidazoles. Imidazoles are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms. Imidazole-4-acetaldehyde is soluble (in water) and a very weakly acidic compound (based on its pKa). Imidazole-4-acetaldehyde can be found in a number of food items such as wild celery, alaska wild rhubarb, orange bell pepper, and common beet, which makes imidazole-4-acetaldehyde a potential biomarker for the consumption of these food products. In humans, imidazole-4-acetaldehyde is involved in the histidine metabolism. Imidazole-4-acetaldehyde is also involved in histidinemia, which is a metabolic disorder. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(E,Z)-2,4-Heptadienal
(E,Z)-2,4-Heptadienal belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms.
3-Methyl-2-cyclohexen-1-one
3-Methyl-2-cyclohexen-1-one is a flavouring ingredien Flavouring ingredient
2,3,5-Trimethylfuran
2,3,5-Trimethylfuran is found in coffee and coffee products. 2,3,5-Trimethylfuran is organoleptic compound occurring in coffee arom
2-Propylfuran
2-Propylfuran is found in fruits. 2-Propylfuran is a constituent of volatile components of heated peanut oil, apricot, plum and carob bean (Ceratonia siliqua). Constituent of volatile components of heated peanut oil, apricot, plum and carob bean (Ceratonia siliqua). 2-Propylfuran is found in pulses, nuts, and fruits.
2-Isopropylfuran
2-Isopropylfuran is found in coffee and coffee products. 2-Isopropylfuran is a constituent of carob (Ceratonia siliqua), coffee and Chinese quince fruit (Chaenomeles speciosa) aromas. Constituent of carob (Ceratonia siliqua), coffee and Chinese quince fruit (Chaenomeles speciosa) aromas. 2-Isopropylfuran is found in coffee and coffee products and fruits.
Methoxypyrazine
Methoxypyrazine is found in animal foods. Methoxypyrazine is a flavouring agent. Methoxypyrazine is present in cooked beef and cocoa Methoxypyrazines are a class of chemical compounds that produce odors. The odors may be desirable, as in the case of certain wines, or undesirable, as in the case of the Asian Lady Beetle which produces isopropyl methoxy pyrazine (IPMP). They have also been identified as additives in cigarette manufacture. Detection thresholds are very low, typically near 2 parts per trillion (1 ng/L). Methoxypyrazines are a class of chemical compounds that produce odors. The odors may be desirable, as in the case of certain wines, or undesirable, as in the case of the Asian Lady Beetle which produces isopropyl methoxy pyrazine (IPMP). They have also been identified as additives in cigarette manufacture. Detection thresholds are very low, typically near 2 parts per trillion (1 ng/L). Methoxypyrazine is found in cocoa and cocoa products and animal foods.
1,3-Octadiene
1,3-Octadiene is found in pulses. 1,3-Octadiene is a constituent of Glycine max (soybean). Constituent of Glycine max (soybean). 1,3-Octadiene is found in pulses.
3-Hydroxy-4-aminopyridine
3-Hydroxy-4-aminopyridine is a metabolite of dalfampridine. 4-Aminopyridine (fampridine, USAN dalfampridine) is an organic compound with the chemical formula C5H4N–NH2. The molecule is one of the three isomeric amines of pyridine. It is used primarily as a research tool, in characterizing subtypes of potassium channel, and has also been used to manage some of the symptoms of multiple sclerosis, and is indicated for symptomatic improvement of walking in adults with several variations of the disease. (Wikipedia) 3-Hydroxy-4-aminopyridine is an endogenous metabolite.
2-(Methylenebutyl)-cyclopropane
2-(Methylenebutyl)-cyclopropane belongs to the class of organic compounds known as cycloalkanes. These are saturated monocyclic hydrocarbons (with or without side chains).
2,4-Octadiene
2,4-Octadiene belongs to the class of organic compounds known as alkadienes. These are hydrocarbons that contain exactly two carbon-to-carbon double bonds.
Dimethylhexa-1,4-diene
Dimethylhexa-1,4-diene belongs to the class of organic compounds known as alkadienes. These are hydrocarbons that contain exactly two carbon-to-carbon double bonds.
2,5-Dimethyl-2,4-hexadiene
2,5-Dimethyl-2,4-hexadiene belongs to the class of organic compounds known as alkadienes. These are hydrocarbons that contain exactly two carbon-to-carbon double bonds.
(E,E)-2,4-heptadienal
2,4-Heptadienal or (E,E)-2,4-heptadienal belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms. Thus, 2,4-heptadienal is considered to be a fatty aldehyde. 2,4-heptadienal is also known as polyunsaturated aldehyde. These compounds are classified by an aldehyde group covalently bound to long carbon chains containing two or more carbon-carbon double bonds. 2,4-heptadienal is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. 2,4-heptadienal is an aldehydic, cake, and cinnamon tasting compound. 2,4-heptadienal has been detected, but not quantified in, several different foods, such as evergreen blackberries, cabbages, broccoli, corns, and tortilla chips. This could make 2,4-heptadienal a potential biomarker for the consumption of these foods. 2,4-heptadienal is also used as a flavoring additive in cigarettes.
FAL 7:2
(E,E)-hepta-2,4-dienal is a heptadienal in which the two double bonds are located at positions 2 and 4 (the E,E-geoisomer). It has a role as a flavouring agent. 2,4-Heptadienal is a natural product found in Vaccinium macrocarpon, Vaccinium vitis-idaea, and other organisms with data available.
4,4-dimethylcyclopent-2-enone
4,4-Dimethyl-2-cyclopenten-1-one is a natural product found in Perilla frutescens with data available. 4,4-Dimethyl-2-cyclopenten-1-one, a natural compound from Apocyniveneti Folium, displays higher tumor-specific cytotoxicity[1]. 4,4-Dimethyl-2-cyclopenten-1-one, a natural compound from Apocyniveneti Folium, displays higher tumor-specific cytotoxicity[1].
1H-Imidazole-4-carbonitrile,5-amino-4,5-dihydro-(9CI)
(4E)-2,3-dimethylhexa-1,4-diene
An alkadiene that is hexa-1,4-diene substituted by methyl groups at positions 2 and 3 respectively.
2,4-Heptadienal
(E,E)-hepta-2,4-dienal is a heptadienal in which the two double bonds are located at positions 2 and 4 (the E,E-geoisomer). It has a role as a flavouring agent. 2,4-Heptadienal is a natural product found in Camellia sinensis, Perilla frutescens
(E,Z)-2,4-Heptadienal
2,4-heptadienal is a member of the class of compounds known as medium-chain aldehydes. Medium-chain aldehydes are an aldehyde with a chain length containing between 6 and 12 carbon atoms. Thus, 2,4-heptadienal is considered to be a fatty aldehyde lipid molecule. 2,4-heptadienal is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2,4-heptadienal is a cinnamon and hazelnut tasting compound found in kohlrabi, which makes 2,4-heptadienal a potential biomarker for the consumption of this food product. (E,Z)-2,4-Heptadienal belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms.
Imidazole-4-acetaldehyde
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-Ethyl-5-methylfuran
A member of the class of furans that is furan in which the hydrogens at positions 2 and 5 are replaced by ethyl and methyl groups, respectively.
3-Hydroxy-4-aminopyridine
3-Hydroxy-4-aminopyridine is an endogenous metabolite.
1-Ethyl-2-methylcyclopentene
{"Ingredient_id": "HBIN002528","Ingredient_name": "1-Ethyl-2-methylcyclopentene","Alias": "NA","Ingredient_formula": "C8H14","Ingredient_Smile": "CCC1=C(CCC1)C","Ingredient_weight": "110.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39176","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "88243","DrugBank_id": "NA"}
1-ethyl-cyclohexene
{"Ingredient_id": "HBIN002535","Ingredient_name": "1-ethyl-cyclohexene","Alias": "NA","Ingredient_formula": "C8H14","Ingredient_Smile": "CCC1=CCCCC1","Ingredient_weight": "110.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9204","PubChem_id": "73937","DrugBank_id": "NA"}
1-methyl-phenol
{"Ingredient_id": "HBIN002811","Ingredient_name": "1-methyl-phenol","Alias": "NA","Ingredient_formula": "C7H10O","Ingredient_Smile": "CC1(CC=CC=C1)O","Ingredient_weight": "110.15 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34734","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "22915515","DrugBank_id": "NA"}
2, 3 , 3-trimethyl-1 , 4-pentadiene
{"Ingredient_id": "HBIN003846","Ingredient_name": "2, 3 , 3-trimethyl-1 , 4-pentadiene","Alias": "NA","Ingredient_formula": "C8H14","Ingredient_Smile": "CC(=C)C(C)(C)C=C","Ingredient_weight": "110.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40712","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "136569","DrugBank_id": "NA"}
2,3,4-trimethyl-1,4-pentadiene
{"Ingredient_id": "HBIN003896","Ingredient_name": "2,3,4-trimethyl-1,4-pentadiene","Alias": "NA","Ingredient_formula": "C8H14","Ingredient_Smile": "CC(C(=C)C)C(=C)C","Ingredient_weight": "110.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8978","PubChem_id": "522437","DrugBank_id": "NA"}
2,4-Hexadiene, 3,4-dimethyl-, (E,Z)-
{"Ingredient_id": "HBIN004394","Ingredient_name": "2,4-Hexadiene, 3,4-dimethyl-, (E,Z)-","Alias": "(2E,4Z)-3,4-dimethylhexa-2,4-diene; 2417-88-1; (E),(Z)-(CH3CH=C(CH3))2","Ingredient_formula": "C8H14","Ingredient_Smile": "CC=C(C)C(=CC)C","Ingredient_weight": "110.2","OB_score": "51.82150242","CAS_id": "2417-88-1","SymMap_id": "SMIT11800","TCMID_id": "NA","TCMSP_id": "MOL010815","TCM_ID_id": "NA","PubChem_id": "5368977","DrugBank_id": "NA"}
3-Cyclopentene-1-acetaldehyde
{"Ingredient_id": "HBIN008410","Ingredient_name": "3-Cyclopentene-1-acetaldehyde","Alias": "NA","Ingredient_formula": "C7H10O","Ingredient_Smile": "C1C=CCC1CC=O","Ingredient_weight": "110.15 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36565","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11804701","DrugBank_id": "NA"}
3-ethyl-cyclohexene
{"Ingredient_id": "HBIN008528","Ingredient_name": "3-ethyl-cyclohexene","Alias": "NA","Ingredient_formula": "C8H14","Ingredient_Smile": "CCC1CCCC=C1","Ingredient_weight": "110.2 g/mol","OB_score": "44.87040609","CAS_id": "NA","SymMap_id": "SMIT07688","TCMID_id": "NA","TCMSP_id": "MOL006007","TCM_ID_id": "NA","PubChem_id": "137724","DrugBank_id": "NA"}
4-methyl-1,4-Heptadiene
{"Ingredient_id": "HBIN010657","Ingredient_name": "4-methyl-1,4-Heptadiene","Alias": "NA","Ingredient_formula": "C8H14","Ingredient_Smile": "CCC=C(C)CC=C","Ingredient_weight": "110.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40982","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5362810","DrugBank_id": "NA"}
Bicyclo[3.1.1]hept-3-en-2-ol
{"Ingredient_id": "HBIN018435","Ingredient_name": "Bicyclo[3.1.1]hept-3-en-2-ol","Alias": "NA","Ingredient_formula": "C7H10O","Ingredient_Smile": "C1C2CC1C(C=C2)O","Ingredient_weight": "110.15 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36568","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "314195","DrugBank_id": "NA"}
Bicyclo[3.1.1]heptan-2-one
{"Ingredient_id": "HBIN018436","Ingredient_name": "Bicyclo[3.1.1]heptan-2-one","Alias": "NA","Ingredient_formula": "C7H10O","Ingredient_Smile": "C1CC(=O)C2CC1C2","Ingredient_weight": "110.15 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36566","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "548958","DrugBank_id": "NA"}
Bicyclo[3.1.1]heptan-3-one
{"Ingredient_id": "HBIN018438","Ingredient_name": "Bicyclo[3.1.1]heptan-3-one","Alias": "NA","Ingredient_formula": "C7H10O","Ingredient_Smile": "C1C2CC1CC(=O)C2","Ingredient_weight": "110.15 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36569","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "12852568","DrugBank_id": "NA"}
