Exact Mass: 114.0681
Exact Mass Matches: 114.0681
Found 206 metabolites which its exact mass value is equals to given mass value 114.0681,
within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error
0.0002 dalton.
epsilon-Caprolactone
ε-Caprolactone, also known simply as caprolactone, is a compound belonging to the family of compounds known as lactones. Lactones are cyclic esters of hydroxyl carboxylic acids, wherein the functional group has become part of a ring structure with carbon atoms. Caprolactone consists of a seven membered ring derived from the cyclization of caproic acid. As a monomer it used in the production of highly specialized plastics and polymers. Caprolactone is produced by the Baeyer-Villiger oxidation of cyclohexanone with peracetic acid, and was used previously (until economically inviable) as a precursor in the production of caprolactam. Several other caprolactone isomers are known. These isomers include α-, β-, γ-, and δ-caprolactones. All are chiral. (R)-γ-caprolactone is a component of floral scents and of the aromas of some fruits and vegetables (Journal of Agricultural and Food Chemistry. 37: 413–418), while δ-caprolactone is found in heated milk fat (Journal of Dairy Science. 48 (5): 615–616).
2-Methyl-4-pentenoic acid
2-Methyl-4-pentenoic acid is a branched-chain fatty acid. (±)-2-Methyl-4-pentenoic acid is a flavouring ingredien It is used as a food additive . 2-Methyl-4-pentenoic Acid is an organic acid. 2-Methyl-4-pentenoic Acid is an organic acid.
Gamma-Caprolactone
Gamma-Caprolactone, also known as 4-ethyl-4-butanolide or 4-hexanolide, belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. Thus, Gamma-caprolactone is considered to be a fatty ester lipid molecule. Gamma-Caprolactone is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Gamma-Caprolactone exists in all eukaryotes, ranging from yeast to humans. Outside of the human body, Gamma-caprolactone has been detected, but not quantified in several different foods, such as potato, cereals and cereal products, pomes, alcoholic beverages, and fruits. It is occasionally found as a volatile component of human urine. In some cases differences up to an order of magnitude are observed. It has been also found in the polar fraction of human blood. Gamma-caprolactone is a gamma-lactone that is oxolan-2-one substituted by an ethyl group at position 5. It has a role as a human blood serum metabolite. gamma-Caprolactone is a natural product found in Psidium guajava, Polygala senega, and other organisms with data available. 4-Hexanolide is a metabolite found in or produced by Saccharomyces cerevisiae. A gamma-lactone that is oxolan-2-one substituted by an ethyl group at position 5. γ-Hexalactone is a gamma-lactone found in ripe fruits. γ-Hexalactone induces DNA damage and acts a substrate of paraoxonase 1 (PON1)[1][2][3]. γ-Hexalactone is a gamma-lactone found in ripe fruits. γ-Hexalactone induces DNA damage and acts a substrate of paraoxonase 1 (PON1)[1][2][3].
3-Hexenoic acid
(Z)-3-Hexenoic acid is a flavouring ingredient; Isol from black tea var. assamica [CCD]. Flavouring ingredient; Isol from black tea variety assamica [CCD]
trans-Hex-2-enoic acid
trans-Hex-2-enoic acid is fatty acid formed by the action of fatty acid synthases from acetyl-CoA and malonyl-CoA precursors. It is involved in the pathway, fatty acid biosynthesis. Specifically, it is the product of reaction between (R)-3-Hydroxyhexanoic acid and fatty-acid Synthase.
4-Methyl-2,3-pentanedione
4-Methyl-2,3-pentanedione is a flavouring ingredient. It is found in many foods, some of which are alcoholic beverages, coffee and coffee products, crustaceans, and cereals and cereal products. 4-Methyl-2,3-pentanedione is found in alcoholic beverages. 4-Methyl-2,3-pentanedione is a flavouring ingredient. 4-Methyl-2,3-pentanedione is present in beer, malt, krill and coffe
4-Methyl-2-pentenoic acid
4-Methyl-2-pentenoic acid is found in alcoholic beverages. 4-Methyl-2-pentenoic acid is isolated from hop Isolated from hops. 4-Methyl-2-pentenoic acid is found in alcoholic beverages.
2-Methyl-2-pentenoic acid
2-Methyl-2-pentenoic acid is a flavouring ingredien Flavouring ingredient
delta-Hexanolactone
delta-Hexanolactone is the lactone of 5-hydroxyhexanoic acid. Lactones are internal esters that exist in equilibrium between their closed (lactone) and open (hydroxy acid) forms in an aqueous environment. The lactone/hydroxy acid ratio at equilibrium is pH-dependent, with the closed form being favored at lower pH values, and can be greatly influenced by structural features of the lactone such as the ring size, substituents on the ring and the presence of double bonds within the ring. Many drugs and endogenous compounds are lactones or hydroxy acids and an enzyme capable of catalyzing the interchange between the open and closed forms in vivo could have pronounced effects upon their biological activity and/or distribution. delta-Hexanolactone is the substrate of paraoxonases (PON) in humans. Human PON1 hydrolyzes over 30 different lactones (cyclic esters) and catalyzes the reverse reaction (lactonization) of a broad range of hydroxy acids. Hydroxy acid lactonization or lactone hydrolysis is catalyzed until equilibrium between the open and closed forms is reached (PMID: 15772423, 12963475, 12963475).
Ethyl crotonate
Ethyl crotonate is found in alcoholic beverages. Ethyl crotonate is a component of strawberry aroma, guava fruit and peel (Psidium guajava), pineapple, yellow passion fruit and other fruits. Also present in white wine and mussels. Ethyl crotonate is a flavouring ingredient. Component of strawberry aroma, guava fruit and peel (Psidium guajava), pineapple, yellow passion fruit and other fruitsand is) also present in white wine and mussels. Flavouring ingredient. Ethyl crotonate is found in alcoholic beverages, mollusks, and fruits.
2,3-Hexanedione
Constituent of coffee, peach, roast chicken, beer, shoyu and clam. Flavour ingredient. 2,3-Hexanedione is found in many foods, some of which are animal foods, alcoholic beverages, coffee and coffee products, and pulses. 2,3-Hexanedione is found in alcoholic beverages. 2,3-Hexanedione is a constituent of coffee, peach, roast chicken, beer, shoyu and clam. 2,3-Hexanedione is a flavour ingredient
5-Oxohexanal
5-Oxohexanal is found in pulses. Poss. obtained from soya. Poss. obtained from soya. 5-Oxohexanal is found in pulses.
2-Methyl-3-pentenoic acid
2-Methyl-3-pentenoic acid is a flavouring ingredien Flavouring ingredient
Prenyl formate
Prenyl formate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
Methyl 4-pentenoate
Methyl 4-pentenoate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]"). It is used as a food additive
Dihydro-4,4-dimethyl-2(3H)-furanone
Dihydro-4,4-dimethyl-2(3H)-furanone belongs to the class of organic compounds known as gamma butyrolactones. These are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.
Hexenoic acid
Hexenoic acid, also known as a,b-hexenoate or alpha,beta-hexenoic acid, is a member of the class of compounds known as medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Hexenoic acid is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Hexenoic acid can be found in tea, which makes hexenoic acid a potential biomarker for the consumption of this food product.
4-methylpent-3-enoic acid
A methyl-branched chain fatty acid that is pent-3-enoic acid substituted by a methyl group at position 4.
Lactone-(Z)-5-Hydroxy-3-methyl-2-pentenoic acid|Lactone-5-Hydroxy-3-methyl-2-pentenoic-acid, 9CI
Acetonylacetone
A diketone that is hexane substituted by oxo groups at positions 2 and 5. It is a toxic metabolite of hexane and of 2-hexanone D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents D009676 - Noxae > D009498 - Neurotoxins D004791 - Enzyme Inhibitors
d-Hexanolactone
Isolated from coconut oil (Cocos nucifera), heated milk fat, butter, chicken fat and yoghurtand is also in various fruits e.g. papaya, pineapple, raspberry, strawberry and plums [DFC]. 5-Methyl-delta-valerolactone is found in milk and milk products, animal foods, and fruits.
γ-Caprolactone
γ-Hexalactone is a gamma-lactone found in ripe fruits. γ-Hexalactone induces DNA damage and acts a substrate of paraoxonase 1 (PON1)[1][2][3]. γ-Hexalactone is a gamma-lactone found in ripe fruits. γ-Hexalactone induces DNA damage and acts a substrate of paraoxonase 1 (PON1)[1][2][3].
Toukalide
γ-Hexalactone is a gamma-lactone found in ripe fruits. γ-Hexalactone induces DNA damage and acts a substrate of paraoxonase 1 (PON1)[1][2][3]. γ-Hexalactone is a gamma-lactone found in ripe fruits. γ-Hexalactone induces DNA damage and acts a substrate of paraoxonase 1 (PON1)[1][2][3].
UNII:29HK385L3G
2-Methyl-4-pentenoic Acid is an organic acid. 2-Methyl-4-pentenoic Acid is an organic acid.
Hexane-2,3-dione
An alpha-diketone that is hexane substituted by oxo groups at positions 2 and 3 respectively.
trans-Hex-2-enoic acid
(E)-2-Hexenoic acid is fatty acid formed by the action of fatty acid synthases from acetyl-CoA and malonyl-CoA precursors. It is involved in the fatty acid biosynthesis pathway. Specifically, it is the product of reaction between (R)-3-Hydroxyhexanoic acid and fatty-acid Synthase. (E)-2-Hexenoic acid is found in many foods, some of which are alcoholic beverages, fruits, tea, and fats and oils. It is used as flavouring agent.
Native Sweet Potato Non-Prostatic Acid Phosphatase
Gamma-Caprolactone
Gamma-Caprolactone, also known as 4-ethyl-4-butanolide or 4-hexanolide, belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. Thus, Gamma-caprolactone is considered to be a fatty ester lipid molecule. Gamma-Caprolactone is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Gamma-Caprolactone exists in all eukaryotes, ranging from yeast to humans. Outside of the human body, Gamma-caprolactone has been detected, but not quantified in several different foods, such as potato, cereals and cereal products, pomes, alcoholic beverages, and fruits. It is occasionally found as a volatile component of human urine. In some cases differences up to an order of magnitude are observed. It has been also found in the polar fraction of human blood. Constituent of fruits, e.g. apple, raspberry, strawberry, wine grapes, quince etcand is) also present in French fried potato, wheat bread, crispbread, butter, red or white wine and cooked beef. xi-5-Ethyldihydro-2(3H)-furanone is found in many foods, some of which are animal foods, fruits, pomes, and potato. γ-Hexalactone is a gamma-lactone found in ripe fruits. γ-Hexalactone induces DNA damage and acts a substrate of paraoxonase 1 (PON1)[1][2][3]. γ-Hexalactone is a gamma-lactone found in ripe fruits. γ-Hexalactone induces DNA damage and acts a substrate of paraoxonase 1 (PON1)[1][2][3].
ethyl (2Z)-but-2-enoate
A but-2-enoate ester obtained by the formal condensation of isocrotonic acid with ethanol.
(3R,5S)-3,5-dimethyltetrahydrofuran-2-one
{"Ingredient_id": "HBIN009554","Ingredient_name": "(3R,5S)-3,5-dimethyltetrahydrofuran-2-one","Alias": "(3R,5S)-3,5-dimethyloxolan-2-one; (3R,5S)-3,5-dimethyl-2-tetrahydrofuranone; InChI=1/C6H10O2/c1-4-3-5(2)8-6(4)7/h4-5H,3H2,1-2H3/t4-,5+/m1/s","Ingredient_formula": "C6H10O2","Ingredient_Smile": "CC1CC(OC1=O)C","Ingredient_weight": "114.14 g/mol","OB_score": "83.94599865","CAS_id": "1185220","SymMap_id": "SMIT11919","TCMID_id": "NA","TCMSP_id": "MOL010956","TCM_ID_id": "NA","PubChem_id": "5324164","DrugBank_id": "NA"}
(4S,5R)-4-hydroxy-5-hydroxymethyl-furan-2-one
{"Ingredient_id": "HBIN010896","Ingredient_name": "(4S,5R)-4-hydroxy-5-hydroxymethyl-furan-2-one","Alias": "NA","Ingredient_formula": "C6H10O2","Ingredient_Smile": "CC1CC(=O)OC1C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42832","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
