1.0 2010-04-08 22:10:18 UTC 2019-11-26 03:07:22 UTC FDB012677 S-Propyl-L-cysteine Occurs as g-glutamyl peptide in garlic. S-Propyl-L-cysteine is found in onion-family vegetables. L-cysteine, s-propyl- S-propyl-l-cysteine S-propylcysteine C6H13NO2S 163.238 163.066699355 2-amino-3-(propylsulfanyl)propanoic acid 2-amino-3-(propylsulfanyl)propanoic acid 1115-93-1 CCCSCC(N)C(O)=O InChI=1S/C6H13NO2S/c1-2-3-10-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9) WAAGBMYUYFBZIW-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. Cysteine and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds 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 logp -1.36 ALOGPS logs -1.10 ALOGPS solubility 1.30e+01 g/l ALOGPS logp -1.6 ChemAxon pka_strongest_acidic 2.62 ChemAxon pka_strongest_basic 9.14 ChemAxon iupac 2-amino-3-(propylsulfanyl)propanoic acid ChemAxon average_mass 163.238 ChemAxon mono_mass 163.066699355 ChemAxon smiles CCCSCC(N)C(O)=O ChemAxon formula C6H13NO2S ChemAxon inchi InChI=1S/C6H13NO2S/c1-2-3-10-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9) ChemAxon inchikey WAAGBMYUYFBZIW-UHFFFAOYSA-N ChemAxon polar_surface_area 63.32 ChemAxon refractivity 42.2 ChemAxon polarizability 17.85 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14845 Specdb::CMs 43815 Specdb::CMs 132453 Specdb::CMs 140187 Specdb::MsMs 85911 Specdb::MsMs 85912 Specdb::MsMs 85913 Specdb::MsMs 148098 Specdb::MsMs 148099 Specdb::MsMs 148100 Specdb::MsMs 2348399 Specdb::MsMs 2348400 Specdb::MsMs 2348401 Specdb::MsMs 2587699 Specdb::MsMs 2587700 Specdb::MsMs 2587701 Specdb::MsIr 6562 Specdb::MsIr 6563 Specdb::MsIr 6564 Specdb::NmrOneD 125758 Specdb::NmrOneD 125759 Specdb::NmrOneD 125760 Specdb::NmrOneD 125761 Specdb::NmrOneD 125762 Specdb::NmrOneD 125763 Specdb::NmrOneD 125764 Specdb::NmrOneD 125765 Specdb::NmrOneD 125766 Specdb::NmrOneD 125767 Specdb::NmrOneD 125768 Specdb::NmrOneD 125769 Specdb::NmrOneD 125770 Specdb::NmrOneD 125771 Specdb::NmrOneD 125772 Specdb::NmrOneD 125773 Specdb::NmrOneD 125774 Specdb::NmrOneD 125775 Specdb::NmrOneD 125776 Specdb::NmrOneD 125777 HMDB34324 #<Reference:0x000055ce3205fd88> Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Green onion Type 1 Onion-family vegetables Unknown generic Red onion Type 1 Welsh onion Type 1 specific Allium fistulosum 35875