1.0 2016-10-03 18:35:33 UTC 2020-04-22 15:49:29 UTC BMDB0012286 BMDB12286 S-Prenyl-L-cysteine 2-amino-3-Prenylmercaptopropionic acid 2-amino-3-Prenylthiopropionic acid 3-((3-Methyl-2-butenyl)thio)-L-alanine Prenisteine Prenyl-L-cysteine S-(3-Methyl-2-butenyl-L-cysteine) 2-Amino-3-[(3-methylbut-2-en-1-yl)sulfanyl]propanoate 2-Amino-3-[(3-methylbut-2-en-1-yl)sulphanyl]propanoate 2-Amino-3-[(3-methylbut-2-en-1-yl)sulphanyl]propanoic acid C8H15NO2S 189.275 189.082349419 2-amino-3-[(3-methylbut-2-en-1-yl)sulfanyl]propanoic acid 2-amino-3-[(3-methylbut-2-en-1-yl)sulfanyl]propanoic acid 5287-46-7 CC(C)=CCSCC(N)C(O)=O InChI=1S/C8H15NO2S/c1-6(2)3-4-12-5-7(9)8(10)11/h3,7H,4-5,9H2,1-2H3,(H,10,11) ULHWZNASVJIOEM-UHFFFAOYSA-N belongs to the class of organic compounds known as cysteine and derivatives. Cysteine and derivatives are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Cysteine and derivatives Alpha amino acids Amino acids Carbonyl compounds Carboxylic acids Dialkylthioethers Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Sulfenyl compounds Aliphatic acyclic compound Alpha-amino acid Amine Amino acid Carbonyl group Carboxylic acid Cysteine or derivatives Dialkylthioether Hydrocarbon derivative 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 Sulfenyl compound Thioether Aliphatic acyclic compounds Solid logp -1.27 ALOGPS logs -1.70 ALOGPS logp -1.1 ChemAxon pka_strongest_acidic 2.66 ChemAxon pka_strongest_basic 9.14 ChemAxon iupac 2-amino-3-[(3-methylbut-2-en-1-yl)sulfanyl]propanoic acid ChemAxon average_mass 189.275 ChemAxon mono_mass 189.082349419 ChemAxon smiles CC(C)=CCSCC(N)C(O)=O ChemAxon formula C8H15NO2S ChemAxon inchi InChI=1S/C8H15NO2S/c1-6(2)3-4-12-5-7(9)8(10)11/h3,7H,4-5,9H2,1-2H3,(H,10,11) ChemAxon inchikey ULHWZNASVJIOEM-UHFFFAOYSA-N ChemAxon polar_surface_area 63.32 ChemAxon refractivity 52.04 ChemAxon polarizability 21.17 ChemAxon rotatable_bond_count 5 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::MsMs 318166 Specdb::MsMs 318167 Specdb::MsMs 318168 Specdb::MsMs 364867 Specdb::MsMs 364868 Specdb::MsMs 364869 Specdb::MsMs 2814107 Specdb::MsMs 2814108 Specdb::MsMs 2814109 Specdb::MsMs 2892105 Specdb::MsMs 2892106 Specdb::MsMs 2892107 Specdb::CMs 23544 Specdb::CMs 39901 Specdb::CMs 171449 Specdb::MsIr 2753 Specdb::MsIr 2754 Specdb::MsIr 2755 Specdb::NmrOneD 97018 Specdb::NmrOneD 97019 Specdb::NmrOneD 97020 Specdb::NmrOneD 97021 Specdb::NmrOneD 97022 Specdb::NmrOneD 97023 Specdb::NmrOneD 97024 Specdb::NmrOneD 97025 Specdb::NmrOneD 97026 Specdb::NmrOneD 97027 Specdb::NmrOneD 97028 Specdb::NmrOneD 97029 Specdb::NmrOneD 97030 Specdb::NmrOneD 97031 Specdb::NmrOneD 97032 Specdb::NmrOneD 97033 Specdb::NmrOneD 97034 Specdb::NmrOneD 97035 Specdb::NmrOneD 97036 Specdb::NmrOneD 97037 FDB028916 4295950 5121218 S-PRENYL-L-CYSTEINE