2.0 2012-08-09 09:25:22 -0600 2015-06-03 17:21:44 -0600 ECMDB21538 M2MDB001933 Heptadecenoic acid Heptadecenoic acid is a member of the chemical class known as Unsaturated Fatty Acids. These are fatty acids whose chain contains at least one CC double bond. (inferred from compound structure) (E)-Heptadec-9-enoate (E)-Heptadec-9-enoic acid 9E-Heptadecenoate 9E-Heptadecenoic acid Heptadecenoate C17H32O2 268.4348 268.240230268 (2E)-heptadec-2-enoic acid 2-heptadecylenic acid 26265-99-6 [H]\C(CCCCCCCCCCCCCC)=C(\[H])C(O)=O InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h15-16H,2-14H2,1H3,(H,18,19)/b16-15+ GEHPRJRWZDWFBJ-FOCLMDBBSA-N Membrane logp 7.65 ALOGPS logs -6.32 ALOGPS solubility 1.29e-04 g/l ALOGPS logp 6.7 ChemAxon pka_strongest_acidic 5.03 ChemAxon iupac (2E)-heptadec-2-enoic acid ChemAxon average_mass 268.4348 ChemAxon mono_mass 268.240230268 ChemAxon smiles [H]\C(CCCCCCCCCCCCCC)=C(\[H])C(O)=O ChemAxon formula C17H32O2 ChemAxon inchi InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h15-16H,2-14H2,1H3,(H,18,19)/b16-15+ ChemAxon inchikey GEHPRJRWZDWFBJ-FOCLMDBBSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 82.78 ChemAxon polarizability 35.88 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1090207 Specdb::MsMs 26747 Specdb::MsMs 26748 Specdb::MsMs 26749 Specdb::MsMs 33305 Specdb::MsMs 33306 Specdb::MsMs 33307 5282747 4445874 C16536 van der Werf, M. J., Overkamp, K. M., Muilwijk, B., Coulier, L., Hankemeier, T. (2007). "Microbial metabolomics: toward a platform with full metabolome coverage." Anal Biochem 370:17-25. 17765195 Yurtsever D. (2007). Fatty acid methyl ester profiling of Enterococcus and Esherichia coli for microbial source tracking. M.sc. Thesis. Villanova University: U.S.A 3-oxoacyl-[acyl-carrier-protein] synthase 3 P0A6R0 FABH_ECOLI fabH http://ecmdb.ca/proteins/P0A6R0.xml 3-oxoacyl-[acyl-carrier-protein] synthase 2 P0AAI5 FABF_ECOLI fabF http://ecmdb.ca/proteins/P0AAI5.xml 3-oxoacyl-[acyl-carrier-protein] reductase P0AEK2 FABG_ECOLI fabG http://ecmdb.ca/proteins/P0AEK2.xml Acyl carrier protein P0A6A8 ACP_ECOLI acpP http://ecmdb.ca/proteins/P0A6A8.xml Long-chain fatty acid transport protein P10384 FADL_ECOLI fadL http://ecmdb.ca/proteins/P10384.xml