Exact Mass: 112.1251936
Exact Mass Matches: 112.1251936
Found 282 metabolites which its exact mass value is equals to given mass value 112.1251936,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 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).
(Z)-2-Octene
(Z)-2-Octene belongs to the class of organic compounds known as acyclic olefins. These are olefins that do not contain a ring in their structure.
(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 .
1-Octene
1-Octene 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 .
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.
6-Methyl-1-heptene
6-methyl-1-heptene is classified as a member of the unsaturated aliphatic hydrocarbons. Unsaturated aliphatic hydrocarbons are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds. 6-methyl-1-heptene can be found in feces. ISOOCTENE is a clear colorless liquid with a petroleum-like odor. Less dense than water and insoluble in water. Vapors are lighter than air.
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.
(E)-2-Octene
2-octene is a member of the class of compounds known as unsaturated aliphatic hydrocarbons. Unsaturated aliphatic hydrocarbons are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds. 2-octene can be found in mango, which makes 2-octene a potential biomarker for the consumption of this food product. 2-octene can be found primarily in feces and saliva. The simplest isomer is 1-octene, an alpha-olefin used primarily as a co-monomer in production of polyethylene via the solution polymerization process. Several useful structural isomers of the octenes are obtained by dimerization of isobutene and 1-butene. These branched alkenes are used to alkylate phenols to give precursors to detergents . (E)-2-Octene belongs to the class of organic compounds known as acyclic olefins. These are olefins that do not contain a ring in their structure.
(Z)-3-Octene
(Z)-3-Octene belongs to the class of organic compounds known as acyclic olefins. These are olefins that do not contain a ring in their structure.
(E)-3-Octene
(E)-3-Octene belongs to the class of organic compounds known as acyclic olefins. These are olefins that do not contain a ring in their structure.
3-Methyleneheptane
3-Methyleneheptane belongs to the class of organic compounds known as acyclic olefins. These are olefins that do not contain a ring in their structure.
3-Methyl-1-heptene
3-Methyl-1-heptene belongs to the class of organic compounds known as acyclic olefins. These are olefins that do not contain a ring in their structure.
3-Methyl-3-heptene
3-Methyl-3-heptene belongs to the class of organic compounds known as acyclic olefins. These are olefins that do not contain a ring in their structure.
(E)-4-Methyl-2-heptene
(E)-4-Methyl-2-heptene belongs to the class of organic compounds known as acyclic olefins. These are olefins that do not contain a ring in their structure.
4-Methyl-3-heptene
4-Methyl-3-heptene belongs to the class of organic compounds known as acyclic olefins. These are olefins that do not contain a ring in their structure.
1,4-Diazabicyclo[2.2.2]octane
D020011 - Protective Agents > D011837 - Radiation-Protective Agents
2-heptenal
Isolated from soya bean oil (Glycine max). Flavouring constituent of many foods. 2-Heptenal is found in pulses.
1,4-Dimethylcyclohexane
A cycloalkane that is cyclohexane substituted by a methyl group at positions 1 and 4.
1-hepten-3-one
An enone that is hept-1-ene substituted by an oxo group at position 3.
4,5-DIMETHYL-1-HEXENE
An alkene that is hex-1-ene substituted by methyl groups at positions 4 and 5 respectively.
4-Ethyl-1-hexene
An alkene that is 1-hexene substituted by an ethyl group at position 4.
(E)-2-((E)-But-2-en-1-ylidene)-1,1-dimethylhydrazine
Histaminium
An ammonium ion that is the conjugate acid of histamine protonated on the side-chain nitrogen. D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D017442 - Histamine Agonists COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
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.
DABCO
D020011 - Protective Agents > D011837 - Radiation-Protective Agents
4-METHYLCYCLOHEXANONE
A member of the class of cyclohexanones that is cyclohexanone substituted by a methyl group at position 4.
3-Methyleneheptane
An alkene that is heptane which carries a methylidene group at position 3.
(4E)-hept-4-en-2-one
A methyl ketone heptan-2-one carrying a double bond at position 4.
TRANS-1,4-DIMETHYLCYCLOHEXANE
The trans-isomer of 1,4-dimethylcyclohexane.
(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.
1,4-dimethyl-cis-cyclohexane
{"Ingredient_id": "HBIN001443","Ingredient_name": "1,4-dimethyl-cis-cyclohexane","Alias": "NA","Ingredient_formula": "C8H16","Ingredient_Smile": "CC1CCC(CC1)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15163","TCMID_id": "6333","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,6-dimethyl-cis-cyclohexane
{"Ingredient_id": "HBIN001882","Ingredient_name": "1,6-dimethyl-cis-cyclohexane","Alias": "NA","Ingredient_formula": "C8H16","Ingredient_Smile": "CC1CCCCC1C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6334","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
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"}