1.0 2010-04-08 22:13:16 UTC 2025-11-19 01:58:01 UTC FDB017735 Lentinic acid Isolated from the mushroom Lentinus edodes. Lentinic acid is found in mushrooms. (lentinic acid) C12H22N2O10S4 482.57 482.015727694 2-amino-4-[(Z)-(1-carboxy-2-methanesulfonylmethanesulfinylmethanesulfinylmethanesulfinylethyl)-C-hydroxycarbonimidoyl]butanoic acid 2-amino-4-[(Z)-(1-carboxy-2-methanesulfonylmethanesulfinylmethanesulfinylmethanesulfinylethyl)-C-hydroxycarbonimidoyl]butanoic acid 12705-98-5 CS(=O)(=O)CS(=O)CS(=O)CS(=O)CC(\N=C(/O)CCC(N)C(O)=O)C(O)=O InChI=1S/C12H22N2O10S4/c1-28(23,24)7-27(22)6-26(21)5-25(20)4-9(12(18)19)14-10(15)3-2-8(13)11(16)17/h8-9H,2-7,13H2,1H3,(H,14,15)(H,16,17)(H,18,19) YJXVNZXKWINDJO-UHFFFAOYSA-N belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Dipeptides 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 Dicarboxylic acids and derivatives Fatty acids and conjugates Gamma-glutamyl amino acids Glutamine and derivatives Hydrocarbon derivatives Monoalkylamines N-acyl amines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Sulfinyl compounds Sulfones Sulfoxides Aliphatic acyclic compound Alpha-amino acid Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Carbonyl group Carboxamide group Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Fatty acyl Fatty amide Gamma-glutamyl alpha-amino acid Glutamine or derivatives Hydrocarbon derivative N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Primary aliphatic amine Primary amine Secondary carboxylic acid amide Sulfinyl compound Sulfone Sulfonyl Sulfoxide logp -0.85 ALOGPS logs -1.66 ALOGPS solubility 1.06e+01 g/l ALOGPS logp -7.7 ChemAxon pka_strongest_acidic 1.39 ChemAxon pka_strongest_basic 9.34 ChemAxon iupac 2-amino-4-[(Z)-(1-carboxy-2-methanesulfonylmethanesulfinylmethanesulfinylmethanesulfinylethyl)-C-hydroxycarbonimidoyl]butanoic acid ChemAxon average_mass 482.57 ChemAxon mono_mass 482.015727694 ChemAxon smiles CS(=O)(=O)CS(=O)CS(=O)CS(=O)CC(\N=C(/O)CCC(N)C(O)=O)C(O)=O ChemAxon formula C12H22N2O10S4 ChemAxon inchi InChI=1S/C12H22N2O10S4/c1-28(23,24)7-27(22)6-26(21)5-25(20)4-9(12(18)19)14-10(15)3-2-8(13)11(16)17/h8-9H,2-7,13H2,1H3,(H,14,15)(H,16,17)(H,18,19) ChemAxon inchikey YJXVNZXKWINDJO-UHFFFAOYSA-N ChemAxon polar_surface_area 218.56 ChemAxon refractivity 103.68 ChemAxon polarizability 44.84 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 12 ChemAxon donor_count 4 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 26042 Specdb::NmrOneD 26043 Specdb::NmrOneD 26044 Specdb::NmrOneD 26045 Specdb::NmrOneD 26046 Specdb::NmrOneD 26047 Specdb::NmrOneD 26048 Specdb::NmrOneD 26049 Specdb::NmrOneD 26050 Specdb::NmrOneD 26051 Specdb::NmrOneD 26052 Specdb::NmrOneD 26053 Specdb::NmrOneD 26054 Specdb::NmrOneD 26055 Specdb::NmrOneD 26056 Specdb::NmrOneD 26057 Specdb::NmrOneD 26058 Specdb::NmrOneD 26059 Specdb::NmrOneD 26060 Specdb::NmrOneD 26061 Specdb::CMs 24757 Specdb::CMs 45794 Specdb::CMs 175078 Specdb::MsMs 10274 Specdb::MsMs 10275 Specdb::MsMs 10276 Specdb::MsMs 16946 Specdb::MsMs 16947 Specdb::MsMs 16948 Specdb::MsMs 2280751 Specdb::MsMs 2280752 Specdb::MsMs 2280753 Specdb::MsMs 3084877 Specdb::MsMs 3084878 Specdb::MsMs 3084879 HMDB38385 #<Reference:0x000055ce32adb0a0> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322