1.0 2016-10-03 18:22:45 UTC 2020-04-22 15:45:55 UTC BMDB0011678 BMDB11678 Geranylgeranylcysteine S-(3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl)-(e,e,e)-L-cysteine S-[(2E,6E,10E)-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl]- (9ci)-L-cysteine (2R)-2-{[(2E,6E,10E)-1-hydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ylidene]amino}-3-sulfanylpropanoate (2R)-2-{[(2E,6E,10E)-1-hydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ylidene]amino}-3-sulphanylpropanoate (2R)-2-{[(2E,6E,10E)-1-hydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ylidene]amino}-3-sulphanylpropanoic acid C23H37NO3S 407.61 407.249414745 (2R)-3-sulfanyl-2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamido]propanoic acid (2R)-3-sulfanyl-2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamido]propanoic acid 169523-06-2 SC[C@H](NC(=O)\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C(O)=O InChI=1S/C23H37NO3S/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-22(25)24-21(16-28)23(26)27/h9,11,13,15,21,28H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H,26,27)/b18-11+,19-13+,20-15+/t21-/m0/s1 UBCKUGRWFMEXIF-WONWMLGISA-N belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle. Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Acyclic diterpenoids Alkylthiols Carbonyl compounds Carboxylic acids Cysteine and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl amines N-acyl-L-alpha-amino acids Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Acyclic diterpenoid Aliphatic acyclic compound Alkylthiol Alpha-amino acid or derivatives Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Cysteine or derivatives Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine N-acyl-l-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Secondary carboxylic acid amide Aliphatic acyclic compounds Solid logp 5.58 ALOGPS logs -5.37 ALOGPS logp 5.65 ChemAxon pka_strongest_acidic 4.04 ChemAxon pka_strongest_basic 1.45 ChemAxon iupac (2R)-3-sulfanyl-2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamido]propanoic acid ChemAxon average_mass 407.61 ChemAxon mono_mass 407.249414745 ChemAxon smiles SC[C@H](NC(=O)\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C(O)=O ChemAxon formula C23H37NO3S ChemAxon inchi InChI=1S/C23H37NO3S/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-22(25)24-21(16-28)23(26)27/h9,11,13,15,21,28H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H,26,27)/b18-11+,19-13+,20-15+/t21-/m0/s1 ChemAxon inchikey UBCKUGRWFMEXIF-WONWMLGISA-N ChemAxon polar_surface_area 66.4 ChemAxon refractivity 123.68 ChemAxon polarizability 48.79 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 19527 Specdb::CMs 39761 Specdb::CMs 161047 Specdb::MsMs 309433 Specdb::MsMs 309434 Specdb::MsMs 309435 Specdb::MsMs 353857 Specdb::MsMs 353858 Specdb::MsMs 353859 Specdb::MsMs 2696739 Specdb::MsMs 2696740 Specdb::MsMs 2696741 Specdb::MsMs 2981393 Specdb::MsMs 2981394 Specdb::MsMs 2981395 FDB028366 53481025 30776596