Exact Mass: 112.0888
Exact Mass Matches: 112.0888
Found 128 metabolites which its exact mass value is equals to given mass value 112.0888,
within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error
0.0002 dalton.
(2E)-2-Heptenal
(2E)-2-Heptenal, also known as 3-butylacrolein or 2-trans-heptenal, 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. (2E)-2-Heptenal is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, (2E)-2-heptenal is considered to be a fatty aldehyde lipid molecule. Uremic toxins such as 2-Heptenal are actively transported into the kidneys via organic ion transporters (especially OAT3). (2E)-2-Heptenal is an almond, and fatty tasting compound. (2E)-2-Heptenal is found, on average, in the highest concentration within safflowers. (2E)-2-Heptenal has also been detected, but not quantified, in several different foods, such as roselles, common grapes, cucumbers, garden tomato, and evergreen blackberries. (2E)-2-Heptenal is a potentially toxic compound. Uremic toxins tend to accumulate in the blood either through dietary excess or through poor filtration by the kidneys. As a uremic toxin, this compound can cause uremic syndrome. Chronic exposure to uremic toxins can lead to a number of conditions including renal damage, chronic kidney disease and cardiovascular disease. This seems to be mediated by the direct binding or inhibition by uremic toxins of the enzyme NADPH oxidase (especially NOX4 which is abundant in the kidneys and heart) (A7868). Shortness of breath from fluid buildup in the space between the lungs and the chest wall (pleural effusion) can also be present. It can also cause changes in mental status, such as confusion, reduced awareness, agitation, psychosis, seizures, and coma. (2e)-2-heptenal, also known as 3-butylacrolein or alpha-heptenal, 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, (2e)-2-heptenal is considered to be a fatty aldehyde lipid molecule (2e)-2-heptenal is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (2e)-2-heptenal is an almond, fat, and fatty tasting compound and can be found in a number of food items such as watermelon, safflower, oat, and common grape, which makes (2e)-2-heptenal a potential biomarker for the consumption of these food products (2e)-2-heptenal can be found primarily in blood and saliva (2e)-2-heptenal is a non-carcinogenic (not listed by IARC) potentially toxic compound. As a uremic toxin, this compound can cause uremic syndrome. Uremic syndrome may affect any part of the body and can cause nausea, vomiting, loss of appetite, and weight loss. It can also cause changes in mental status, such as confusion, reduced awareness, agitation, psychosis, seizures, and coma. Abnormal bleeding, such as bleeding spontaneously or profusely from a very minor injury can also occur. Heart problems, such as an irregular heartbeat, inflammation in the sac that surrounds the heart (pericarditis), and increased pressure on the heart can be seen in patients with uremic syndrome. Shortness of breath from fluid buildup in the space between the lungs and the chest wall (pleural effusion) can also be present (T3DB).
(R)-3-Methylcyclohexanone
(R)-3-Methylcyclohexanone is found in fats and oils. (R)-3-Methylcyclohexanone is isolated from oil of Hedeoma pulegioides (American pennyroyal), Mentha species and other oils. Flavouring ingredient for candies etc
(E)-4-Hepten-2-one
(Z)-4-Hepten-2-one is found in fruits. (Z)-4-Hepten-2-one is a constituent of bananas. Constituent of bananas. (Z)-4-Hepten-2-one is found in fruits.
(Z)-4-Heptenal
(Z)-4-Heptenal is found in milk and milk products. (Z)-4-Heptenal is a flavouring agent. (Z)-4-Heptenal is used in cream and butter flavourings. (Z)-4-Heptenal is a component of butter. (Z)-4-Heptenal is widespread trace constituent of food flavour Flavouring agent. It is used in cream and butter flavourings. Component of butter. Widespread trace constituent of food flavours. (Z)-4-Heptenal is found in milk and milk products.
5-Methyl-3-hexen-2-one
(E)-5-Methyl-3-hexen-2-one is a flavouring ingredien It is used as a food additive .
3-Hepten-2-one
3-Hepten-2-one is a flavouring ingredien Flavouring ingredient
4-Methylcyclohexanone
4-Methylcyclohexanone is a flavouring for baked goods and candie Flavouring for baked goods and candies
2,5-Heptadien-1-ol
2,5-Heptadien-1-ol is found in green vegetables. 2,5-Heptadien-1-ol is a constituent of the flowers of Viola odorata (sweet violet). Constituent of the flowers of Viola odorata (sweet violet). 2,5-Heptadien-1-ol is found in tea and green vegetables.
2-Hepten-4-one
2-Hepten-4-one is a flavouring ingredien Flavouring ingredient
2-Methylcyclohexanone
(±)-2-Methylcyclohexanone is a flavouring ingredien It is used as a food additive . 2-Methylcyclohexanone is an endogenous metabolite.
5-Methyl-5-hexen-2-one
5-Methyl-5-hexen-2-one is a flavouring ingredien Flavouring ingredient
trans-2-trans-4-Heptadien-1-ol
trans-2-trans-4-Heptadien-1-ol 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 .
xi-3-Methyl-3-cyclohexen-1-ol
xi-3-Methyl-3-cyclohexen-1-ol is found in herbs and spices. xi-3-Methyl-3-cyclohexen-1-ol is a constituent of oil of Thymus vulgaris (thyme) Constituent of oil of Thymus vulgaris (thyme). xi-3-Methyl-3-cyclohexen-1-ol is found in herbs and spices.
2-heptenal
Isolated from soya bean oil (Glycine max). Flavouring constituent of many foods. 2-Heptenal is found in pulses.
1-hepten-3-one
An enone that is hept-1-ene substituted by an oxo group at position 3.
2-Methylcyclohexanone
A member of the class of cyclohexanones that is cyclohexanone substituted by a methyl group at position 2. 2-Methylcyclohexanone is an endogenous metabolite.
4-METHYLCYCLOHEXANONE
A member of the class of cyclohexanones that is cyclohexanone substituted by a methyl group at position 4.
(4E)-hept-4-en-2-one
A methyl ketone heptan-2-one carrying a double bond at position 4.
(E)-Hept-2-enal
A monounsaturated fatty aldehyde that is (2E)-hept-2-ene which is carrying an oxo group at position 1. Found in the peel of Malaysian pink and white pomelo peel and in the scent gland secretion of the rice stink bug Oebalus pugnax.
cyclohexanecarbaldehyde
An aliphatic aldehyde that is cyclohexane substituted by a formyl group at position 1.
2-butylacrolein
{"Ingredient_id": "HBIN005429","Ingredient_name": "2-butylacrolein","Alias": "NA","Ingredient_formula": "C7H12O","Ingredient_Smile": "CCCCC(=C)C=O","Ingredient_weight": "112.17 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35220","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "70612","DrugBank_id": "NA"}
(2E)-3-ethylpenta-2,4-dien-1-ol
{"Ingredient_id": "HBIN005548","Ingredient_name": "(2E)-3-ethylpenta-2,4-dien-1-ol","Alias": "2,4-Pentadien-1-ol, 3-ethyl-, (2Z)-","Ingredient_formula": "C7H12O","Ingredient_Smile": "CCC(=CCO)C=C","Ingredient_weight": "112.17 g/mol","OB_score": "27.1293882","CAS_id": "NA","SymMap_id": "SMIT08902","TCMID_id": "NA","TCMSP_id": "MOL007470","TCM_ID_id": "NA","PubChem_id": "5364723","DrugBank_id": "NA"}
beta-heptenal
{"Ingredient_id": "HBIN018141","Ingredient_name": "beta-heptenal","Alias": "NA","Ingredient_formula": "C7H12O","Ingredient_Smile": "CCCCC=CC=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31083","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
Bicyclo[3.1.1]heptan-3-ol
{"Ingredient_id": "HBIN018437","Ingredient_name": "Bicyclo[3.1.1]heptan-3-ol","Alias": "NA","Ingredient_formula": "C7H12O","Ingredient_Smile": "C1C2CC1CC(C2)O","Ingredient_weight": "112.17 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36567","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "91419167","DrugBank_id": "NA"}
