2.0 2012-07-30 14:55:23 -0600 2015-06-03 17:21:12 -0600 ECMDB21348 M2MDB001746 Octadecenoate (N-C18:1) Octadecenoate is the salt or easter of octadecenoic acid (oleic acid). Octadecenoic acid (N-C18:1) C18H33O2 281.4534 281.2480553 (9E)-octadec-9-enoate elaidate [H]\C(CCCCCCCC)=C(\[H])CCCCCCCC([O-])=O InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1/b10-9+ ZQPPMHVWECSIRJ-MDZDMXLPSA-M Membrane logp 7.71 ALOGPS logs -6.99 ALOGPS solubility 3.08e-05 g/l ALOGPS logp 6.78 ChemAxon pka_strongest_acidic 4.99 ChemAxon iupac (9E)-octadec-9-enoate ChemAxon average_mass 281.4534 ChemAxon mono_mass 281.2480553 ChemAxon smiles [H]\C(CCCCCCCC)=C(\[H])CCCCCCCC([O-])=O ChemAxon formula C18H33O2 ChemAxon inchi InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1/b10-9+ ChemAxon inchikey ZQPPMHVWECSIRJ-MDZDMXLPSA-M ChemAxon polar_surface_area 40.13 ChemAxon refractivity 98.24 ChemAxon polarizability 37.16 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge -1 ChemAxon formal_charge -1 ChemAxon Specdb::NmrOneD 282829 Specdb::NmrOneD 282830 Specdb::NmrOneD 282831 Specdb::NmrOneD 282832 Specdb::NmrOneD 282833 Specdb::NmrOneD 282834 Specdb::NmrOneD 282835 Specdb::NmrOneD 282836 Specdb::NmrOneD 282837 Specdb::NmrOneD 282838 Specdb::NmrOneD 282839 Specdb::NmrOneD 282840 Specdb::NmrOneD 282841 Specdb::NmrOneD 282842 Specdb::NmrOneD 282843 Specdb::NmrOneD 282844 Specdb::NmrOneD 282845 Specdb::NmrOneD 282846 Specdb::NmrOneD 282847 Specdb::NmrOneD 282848 Specdb::MsMs 28223 Specdb::MsMs 28224 Specdb::MsMs 28225 Specdb::MsMs 34781 Specdb::MsMs 34782 Specdb::MsMs 34783 4574429 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 Lysophospholipase L2 P07000 PLDB_ECOLI pldB http://ecmdb.ca/proteins/P07000.xml Phospholipase A1 P0A921 PA1_ECOLI pldA http://ecmdb.ca/proteins/P0A921.xml Acylphosphatase P0AB65 ACYP_ECOLI yccX http://ecmdb.ca/proteins/P0AB65.xml Acyl-CoA thioesterase I P0ADA1 TESA_ECOLI tesA http://ecmdb.ca/proteins/P0ADA1.xml Bifunctional protein aas P31119 AAS_ECOLI aas http://ecmdb.ca/proteins/P31119.xml Long-chain-fatty-acid--CoA ligase P69451 LCFA_ECOLI fadD http://ecmdb.ca/proteins/P69451.xml Short-chain-fatty-acid--CoA ligase P38135 FADK_ECOLI fadK http://ecmdb.ca/proteins/P38135.xml Acyl-CoA thioesterase 2 P0AGG2 TESB_ECOLI tesB http://ecmdb.ca/proteins/P0AGG2.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 Adenosine triphosphate + Coenzyme A + Hydrogen ion + Octadecenoate (N-C18:1) > Adenosine monophosphate + Hydrogen ion + Octadecenoyl-CoA (N-C18:1CoA) + Pyrophosphate acyl carrier protein + Adenosine triphosphate + Octadecenoate (N-C18:1) > Adenosine monophosphate + cis-octadec-11-enoyl-[acyl-carrier protein] (n-C18:1) + Pyrophosphate Water + Octadecenoyl-CoA (N-C18:1CoA) > Coenzyme A + Hydrogen ion + Octadecenoate (N-C18:1) 1-Acyl-sn-glycero-3-phosphoethanolamine (N-C18:1) + Water > Glycerylphosphorylethanolamine + Hydrogen ion + Octadecenoate (N-C18:1) 1-Acyl-sn-glycero-3-phosphoglycerol (N-C18:1) + Water > Glycerophosphoglycerol + Hydrogen ion + Octadecenoate (N-C18:1) 1-Octadec-11-enoyl-sn-glycerol 3-phosphate + Water > Glycerol 3-phosphate + Hydrogen ion + Octadecenoate (N-C18:1) Water + Octadecanoyl-phosphate (n-C18:1) >2 Hydrogen ion + Octadecenoate (N-C18:1) + Phosphate 2-Acyl-sn-glycero-3-phosphoethanolamine (N-C18:1) + Adenosine triphosphate + Octadecenoate (N-C18:1) > Adenosine monophosphate + PE(14:0/14:0) + Pyrophosphate 2-Acyl-sn-glycero-3-phosphoglycerol (N-C18:1) + Adenosine triphosphate + Octadecenoate (N-C18:1) > Adenosine monophosphate + PG(18:1(11Z)/18:1(11Z)) + Pyrophosphate Water + PA(16:0/16:0) > 1-Octadec-11-enoyl-sn-glycerol 3-phosphate + Hydrogen ion + Octadecenoate (N-C18:1) Water + PA(16:0/16:0) > 2-octadec-11-enoyl-sn-glycerol 3-phosphate + Octadecenoate (N-C18:1) Water + PE(14:0/14:0) > 1-Acyl-sn-glycero-3-phosphoethanolamine (N-C18:1) + Hydrogen ion + Octadecenoate (N-C18:1) Water + PE(14:0/14:0) > 2-Acyl-sn-glycero-3-phosphoethanolamine (N-C18:1) + Hydrogen ion + Octadecenoate (N-C18:1) Water + PG(18:1(11Z)/18:1(11Z)) > 1-Acyl-sn-glycero-3-phosphoglycerol (N-C18:1) + Hydrogen ion + Octadecenoate (N-C18:1) Water + PG(18:1(11Z)/18:1(11Z)) > 2-Acyl-sn-glycero-3-phosphoglycerol (N-C18:1) + Hydrogen ion + Octadecenoate (N-C18:1) 2-Acyl-sn-glycero-3-phosphoethanolamine (N-C18:1) + Water > Glycerylphosphorylethanolamine + Hydrogen ion + Octadecenoate (N-C18:1) 2-Acyl-sn-glycero-3-phosphoglycerol (N-C18:1) + Water > Glycerophosphoglycerol + Hydrogen ion + Octadecenoate (N-C18:1) 2-octadec-11-enoyl-sn-glycerol 3-phosphate + Water > Glycerol 3-phosphate +2 Hydrogen ion + Octadecenoate (N-C18:1)