1.0 2016-10-03 18:21:57 UTC 2020-04-22 15:45:40 UTC BMDB0011627 BMDB11627 Farnesylcysteine S-(2E,6E)-Farnesyl-L-cysteine S-trans-trans-Farnesylcysteine (e,e)-L-S-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)-cysteine S-all-trans-Farnesyl-L-cysteine S-[(2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-yl]-L-cysteine S-[(2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl]-L-cysteine,(9ci) S-Farnesyl cysteine S-Farnesylcysteine C18H31NO2S 325.509 325.207549931 (2R)-2-amino-3-{[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]sulfanyl}propanoic acid S-farnesylcysteine 68000-92-0 N[C@@H](CSC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C(O)=O InChI=1S/C18H31NO2S/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-22-13-17(19)18(20)21/h7,9,11,17H,5-6,8,10,12-13,19H2,1-4H3,(H,20,21)/b15-9+,16-11+/t17-/m0/s1 SYSLNQMKLROGCL-BCYUYYMPSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Sesquiterpenoids Amino acids Carbonyl compounds Carboxylic acids Dialkylthioethers Hydrocarbon derivatives L-alpha-amino acids L-cysteine-S-conjugates Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Sulfenyl compounds Aliphatic acyclic compound Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Carbonyl group Carboxylic acid Carboxylic acid derivative Cysteine or derivatives Dialkylthioether Farsesane sesquiterpenoid Hydrocarbon derivative L-alpha-amino acid L-cysteine-s-conjugate Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Primary aliphatic amine Primary amine Sesquiterpenoid Sulfenyl compound Thioether Aliphatic acyclic compounds S-farnesyl-L-cysteine Solid logp 1.48 ALOGPS logs -4.81 ALOGPS logp 2.17 ChemAxon pka_strongest_acidic 2.56 ChemAxon pka_strongest_basic 9.14 ChemAxon iupac (2R)-2-amino-3-{[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]sulfanyl}propanoic acid ChemAxon average_mass 325.509 ChemAxon mono_mass 325.207549931 ChemAxon smiles N[C@@H](CSC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C(O)=O ChemAxon formula C18H31NO2S ChemAxon inchi InChI=1S/C18H31NO2S/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-22-13-17(19)18(20)21/h7,9,11,17H,5-6,8,10,12-13,19H2,1-4H3,(H,20,21)/b15-9+,16-11+/t17-/m0/s1 ChemAxon inchikey SYSLNQMKLROGCL-BCYUYYMPSA-N ChemAxon polar_surface_area 63.32 ChemAxon refractivity 99.65 ChemAxon polarizability 39.43 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 16354 Specdb::CMs 39728 Specdb::CMs 171109 Specdb::MsMs 302194 Specdb::MsMs 302195 Specdb::MsMs 302196 Specdb::MsMs 344866 Specdb::MsMs 344867 Specdb::MsMs 344868 Specdb::MsMs 3043321 Specdb::MsMs 3043322 Specdb::MsMs 3043323 Specdb::MsMs 3099667 Specdb::MsMs 3099668 Specdb::MsMs 3099669 FDB028328 4942854 6438372 C19691 62141 CPD-12581