1.0 2011-09-21 01:51:39 UTC 2015-07-21 06:59:39 UTC FDB029197 Adipate semialdehyde Adipate semialdehyde is the intermediate metabolite in the formation of caproic acid. Adipate semialdehyde is converted from .alpha.-ketopimelate catalyzed by the decarboxylase enzyme, and the aminotransferase enzyme catalyzes the conversion of adipate semialdehyde to amino caproic acid. [HMDB] 1-Hexanal-6-carboxylate 1-Hexanal-6-carboxylic acid 5-Carbohydroxy-1-pentanal 5-Formylvalerate 5-Formylvaleric acid 6-Oxohexanoate 6-Oxohexanoic acid Adipate monoaldehyde Adipic acid monoaldehyde Adipic acid semialdehyde Adipic monoaldehyde Adipic semialdehyde Hexan-1-one-6-carboxylate C6H10O3 130.1418 130.062994186 6-oxohexanoic acid 6-oxohexanoic acid 928-81-4 OC(=O)CCCCC=O InChI=1S/C6H10O3/c7-5-3-1-2-4-6(8)9/h5H,1-4H2,(H,8,9) PNPPVRALIYXJBW-UHFFFAOYSA-N belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Medium-chain fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds Alpha-hydrogen aldehydes Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Straight chain fatty acids Aldehyde Aliphatic acyclic compound Alpha-hydrogen aldehyde Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Medium-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Straight chain fatty acid 6-oxo monocarboxylic acid aldehydic acid medium-chain fatty acid omega-oxo fatty acid straight-chain fatty acid Solid logp 0.42 ALOGPS logs -0.64 ALOGPS solubility 2.98e+01 g/l ALOGPS logp 0.33 ChemAxon pka_strongest_acidic 4.48 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac 6-oxohexanoic acid ChemAxon average_mass 130.1418 ChemAxon mono_mass 130.062994186 ChemAxon smiles OC(=O)CCCCC=O ChemAxon formula C6H10O3 ChemAxon inchi InChI=1S/C6H10O3/c7-5-3-1-2-4-6(8)9/h5H,1-4H2,(H,8,9) ChemAxon inchikey PNPPVRALIYXJBW-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 31.81 ChemAxon polarizability 13.32 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 2800 Specdb::MsIr 2801 Specdb::MsIr 2802 Specdb::CMs 18371 Specdb::CMs 40013 Specdb::CMs 135946 Specdb::CMs 143680 Specdb::MsMs 306733 Specdb::MsMs 306734 Specdb::MsMs 306735 Specdb::MsMs 350464 Specdb::MsMs 350465 Specdb::MsMs 350466 Specdb::MsMs 2392144 Specdb::MsMs 2392145 Specdb::MsMs 2392146 Specdb::MsMs 2569682 Specdb::MsMs 2569683 Specdb::MsMs 2569684 Specdb::NmrOneD 97898 Specdb::NmrOneD 97899 Specdb::NmrOneD 97900 Specdb::NmrOneD 97901 Specdb::NmrOneD 97902 Specdb::NmrOneD 97903 Specdb::NmrOneD 97904 Specdb::NmrOneD 97905 Specdb::NmrOneD 97906 Specdb::NmrOneD 97907 Specdb::NmrOneD 97908 Specdb::NmrOneD 97909 Specdb::NmrOneD 97910 Specdb::NmrOneD 97911 Specdb::NmrOneD 97912 Specdb::NmrOneD 97913 Specdb::NmrOneD 97914 Specdb::NmrOneD 97915 Specdb::NmrOneD 97916 Specdb::NmrOneD 97917 HMDB12882 2490 Alcohol dehydrogenase [NADP(+)] P14550 AKR1A1