1.02010-04-08 22:07:54 UTC2020-09-17 15:35:57 UTCFDB008060(E)-2-Heptenal2-heptenal known as trans-2-heptenal or 3-butylacrolein, belongs to the class of organic compounds known as medium-chain aldehydes. These are aldehydes with a chain length containing between 6 and 12 carbon atoms. Thus, 2-heptenal is considered to be a fatty aldehyde. 2-heptenal is a very hydrophobic, neutral molecule, it exists as a clear, colorless liquid and is practically insoluble in water. 2-heptenal occurs in two isomeric forms (trans - and cis -2-heptenal), with the trans form being of greater importance. 2-heptenal is found in the peel of Malaysian pink and white pomelo peel. The trans-form of 2-heptenal is also found in the scent gland secretion of the rice stink bug Oebalus pugnax (PMID: 17739573). 2-heptenal has been found in pulses (such as peas and other legumes) and has been isolated from soya bean oil (Glycine max) as well as safflower oil. 2-heptenal has also been detected, but not quantified in, several different fruits, grains and other foods, such as common grapes, oats, roselles, and watermelons. 2-heptenal has a green, fatty, fruit odor and a green, sweet, fresh or apple like flavor. 2-heptenal is also a known uremic toxin (PMID: 22626821). 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 in individuals suffering from uremia. Uremia or uremic syndrome can also cause changes in mental status, such as confusion, reduced awareness, agitation, psychosis, seizures, and coma.(2E)-2-Heptenal(2E)-Heptenal(E)-2-Hepten-1-al(E)-2-Heptenal(E)-Hept-2-enal2-Heptenal, (2E)-2-Heptenal, (E)-2-trans-HeptenalHept-(E)-2-enalHept-2(E)-enalHept-trans-2-enaln-Hept-trans-2-enaltrans-2-Hepten-1-altrans-2-HeptenalC7H12O112.1696112.088815006(2E)-hept-2-enal2-heptenal, (2E)-18829-55-5CCCC\C=C\C=OInChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+NDFKTBCGKNOHPJ-AATRIKPKSA-N 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.Medium-chain aldehydesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compoundsAliphatic acyclic compoundsEnalsHydrocarbon derivativesOrganic oxidesAliphatic acyclic compoundAlpha,beta-unsaturated aldehydeEnalHydrocarbon derivativeMedium-chain aldehydeOrganic oxideFatty aldehydeslogp2.30logs-1.99solubility1.14e+00 g/llogp2.09pka_strongest_basic-4.2iupac(2E)-hept-2-enalaverage_mass112.1696mono_mass112.088815006smilesCCCC\C=C\C=OformulaC7H12OinchiInChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+inchikeyNDFKTBCGKNOHPJ-AATRIKPKSA-Npolar_surface_area17.07refractivity35.84polarizability13.59rotatable_bond_count4acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::EiMs1694Specdb::CMs3331Specdb::CMs29218Specdb::CMs101410Specdb::CMs155411Specdb::NmrOneD3854Specdb::NmrOneD123118Specdb::NmrOneD123119Specdb::NmrOneD123120Specdb::NmrOneD123121Specdb::NmrOneD123122Specdb::NmrOneD123123Specdb::NmrOneD123124Specdb::NmrOneD123125Specdb::NmrOneD123126Specdb::NmrOneD123127Specdb::NmrOneD123128Specdb::NmrOneD123129Specdb::NmrOneD123130Specdb::NmrOneD123131Specdb::NmrOneD123132Specdb::NmrOneD123133Specdb::NmrOneD123134Specdb::NmrOneD123135Specdb::NmrOneD123136Specdb::NmrOneD123137Specdb::MsIr6283Specdb::MsIr6284Specdb::MsMs72609Specdb::MsMs72610Specdb::MsMs72611Specdb::MsMs131580Specdb::MsMs131581Specdb::MsMs131582Specdb::MsMs2733090Specdb::MsMs2733091Specdb::MsMs2733092Specdb::MsMs2972385Specdb::MsMs2972386Specdb::MsMs2972387546195BlackberryType 1specificRubusCherry tomatoType 1specificSolanum lycopersicum var. cerasiforme195583Common grapeType 1specificVitis vinifera29760CornType 1specificZea mays45770.00.00.0mg/100 gCucumberType 1specificCucumis sativus3659Evergreen blackberryType 1specificRubus laciniatusGarden tomatoType 1specificSolanum lycopersicum4081Garden tomato (var.)Type 1specificSolanum lycopersicum var. lycopersicum397755OatType 1specificAvena sativa4498RoselleType 1specificHibiscus sabdariffa183260SafflowerType 1specificCarthamus tinctorius42220.0030.0040.002mg/100 gTacoType 2specific0.00.00.0mg/100 gTortillaType 2specific0.00.00.0mg/100 gWatermelonType 1specificCitrullus lanatus3654almondfatfattyfreshgreenpungentsoapvegetable