2.0 2012-07-30 14:55:23 -0600 2015-06-03 17:21:12 -0600 ECMDB21347 M2MDB001745 Octadecanoate (N-C18:0) Octadecanoate (n-c18:0) belongs to the class of Straight Chain Fatty Acids. These are fatty acids with a straight aliphatic chain. (inferred from compound structure)Stearic acid (STAIR-ik or STEER-ik) is the saturated fatty acid with an 18 carbon chain and has the IUPAC name octadecanoic acid. It is a waxy solid, and its chemical formula is CH3(CH2)16CO2H. Its name comes from the Greek word στέαρ stéar, which means tallow. The salts and esters of stearic acid are called stearates. Stearic acid is one of the most common saturated fatty acids found in nature following palmitic acid. (WikiPedia) Octadecanoate (N-C18:0) Octadecanoic acid (N-C18:0) Stearate Stearic acid C18H35O2 283.4693 283.263705364 octadecanoate n-octadecanoate CCCCCCCCCCCCCCCCCC([O-])=O InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/p-1 QIQXTHQIDYTFRH-UHFFFAOYSA-M Membrane logp 8.21 ALOGPS logs -6.73 ALOGPS solubility 5.59e-05 g/l ALOGPS logp 7.15 ChemAxon pka_strongest_acidic 4.95 ChemAxon iupac octadecanoate ChemAxon average_mass 283.4693 ChemAxon mono_mass 283.263705364 ChemAxon smiles CCCCCCCCCCCCCCCCCC([O-])=O ChemAxon formula C18H35O2 ChemAxon inchi InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/p-1 ChemAxon inchikey QIQXTHQIDYTFRH-UHFFFAOYSA-M ChemAxon polar_surface_area 40.13 ChemAxon refractivity 97.12 ChemAxon polarizability 38.16 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge -1 ChemAxon formal_charge -1 ChemAxon Specdb::NmrOneD 276078 Specdb::NmrOneD 276079 Specdb::NmrOneD 276080 Specdb::NmrOneD 276081 Specdb::NmrOneD 276082 Specdb::NmrOneD 276083 Specdb::NmrOneD 276084 Specdb::NmrOneD 276085 Specdb::NmrOneD 276086 Specdb::NmrOneD 276087 Specdb::NmrOneD 276088 Specdb::NmrOneD 276089 Specdb::NmrOneD 276090 Specdb::NmrOneD 276091 Specdb::NmrOneD 276092 Specdb::NmrOneD 276093 Specdb::NmrOneD 276094 Specdb::NmrOneD 276095 Specdb::NmrOneD 276096 Specdb::NmrOneD 276097 Specdb::MsMs 29567 Specdb::MsMs 29568 Specdb::MsMs 29569 Specdb::MsMs 36125 Specdb::MsMs 36126 Specdb::MsMs 36127 3033836 2298422 C01530 25629 STEARIC_ACID 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 + Octadecanoate (N-C18:0) > Adenosine monophosphate + Hydrogen ion + Pyrophosphate + Stearoyl-CoA acyl carrier protein + Adenosine triphosphate + Octadecanoate (N-C18:0) > Adenosine monophosphate + Octadecanoyl-ACP (n-C18:0ACP) + Pyrophosphate Water + Stearoyl-CoA > Coenzyme A + Hydrogen ion + Octadecanoate (N-C18:0) 1-Acyl-sn-glycero-3-phosphoethanolamine (N-C18:0) + Water > Glycerylphosphorylethanolamine + Hydrogen ion + Octadecanoate (N-C18:0) 1-Acyl-sn-glycero-3-phosphoglycerol (N-C18:0) + Water > Glycerophosphoglycerol + Hydrogen ion + Octadecanoate (N-C18:0) 1-Octadecanoyl-sn-glycerol 3-phosphate + Water > Glycerol 3-phosphate + Hydrogen ion + Octadecanoate (N-C18:0) Water + Octadecanoyl-phosphate (n-C18:0) >2 Hydrogen ion + Octadecanoate (N-C18:0) + Phosphate 2-Acyl-sn-glycero-3-phosphoethanolamine (N-C18:0) + Adenosine triphosphate + Octadecanoate (N-C18:0) > Adenosine monophosphate + PE(14:0/14:0) + Pyrophosphate 2-Acyl-sn-glycero-3-phosphoglycerol (N-C18:0) + Adenosine triphosphate + Octadecanoate (N-C18:0) > Adenosine monophosphate + PG(18:0/18:0) + Pyrophosphate Water + PA(16:0/16:0) > 1-Octadecanoyl-sn-glycerol 3-phosphate + Hydrogen ion + Octadecanoate (N-C18:0) Water + PA(16:0/16:0) > 2-octadecanoyl-sn-glycerol 3-phosphate + Octadecanoate (N-C18:0) Water + PE(14:0/14:0) > 1-Acyl-sn-glycero-3-phosphoethanolamine (N-C18:0) + Hydrogen ion + Octadecanoate (N-C18:0) Water + PE(14:0/14:0) > 2-Acyl-sn-glycero-3-phosphoethanolamine (N-C18:0) + Hydrogen ion + Octadecanoate (N-C18:0) Water + PG(18:0/18:0) > 1-Acyl-sn-glycero-3-phosphoglycerol (N-C18:0) + Hydrogen ion + Octadecanoate (N-C18:0) Water + PG(18:0/18:0) > 2-Acyl-sn-glycero-3-phosphoglycerol (N-C18:0) + Hydrogen ion + Octadecanoate (N-C18:0) 2-Acyl-sn-glycero-3-phosphoethanolamine (N-C18:0) + Water > Glycerylphosphorylethanolamine + Hydrogen ion + Octadecanoate (N-C18:0) 2-Acyl-sn-glycero-3-phosphoglycerol (N-C18:0) + Water > Glycerophosphoglycerol + Hydrogen ion + Octadecanoate (N-C18:0) 2-octadecanoyl-sn-glycerol 3-phosphate + Water > Glycerol 3-phosphate +2 Hydrogen ion + Octadecanoate (N-C18:0)