1.0 2010-04-08 22:11:16 UTC 2025-11-19 00:46:32 UTC FDB014441 S-Acetyl dihydroasparagusic acid Constituent of asparagusAsparagus officinalis. S-Acetyl dihydroasparagusic acid is found in asparagus and green vegetables. S-Acetyl dihydroasparagusic acid C6H10O3S2 194.272 194.007135566 3-(acetylsulfanyl)-2-(sulfanylmethyl)propanoic acid 3-(acetylsulfanyl)-2-(sulfanylmethyl)propanoic acid 38146-83-7 CC(=O)SCC(CS)C(O)=O InChI=1S/C6H10O3S2/c1-4(7)11-3-5(2-10)6(8)9/h5,10H,2-3H2,1H3,(H,8,9) PXKKBEIPDBKGPW-UHFFFAOYSA-N belongs to the class of organic compounds known as branched fatty acids. These are fatty acids containing a branched chain. Branched fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds Alkylthiols Carbonyl compounds Carbothioic S-esters Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Sulfenyl compounds Thioesters Aliphatic acyclic compound Alkylthiol Branched fatty acid Carbonyl group Carbothioic s-ester Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Organosulfur compound Sulfenyl compound Thiocarboxylic acid ester Thiocarboxylic acid or derivatives logp 0.56 ALOGPS logs -1.81 ALOGPS solubility 3.04e+00 g/l ALOGPS logp 0.8 ChemAxon pka_strongest_acidic 4.12 ChemAxon pka_strongest_basic -6 ChemAxon iupac 3-(acetylsulfanyl)-2-(sulfanylmethyl)propanoic acid ChemAxon average_mass 194.272 ChemAxon mono_mass 194.007135566 ChemAxon smiles CC(=O)SCC(CS)C(O)=O ChemAxon formula C6H10O3S2 ChemAxon inchi InChI=1S/C6H10O3S2/c1-4(7)11-3-5(2-10)6(8)9/h5,10H,2-3H2,1H3,(H,8,9) ChemAxon inchikey PXKKBEIPDBKGPW-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 46.92 ChemAxon polarizability 18.96 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12460 Specdb::CMs 44521 Specdb::CMs 132608 Specdb::CMs 140342 Specdb::MsIr 6971 Specdb::MsIr 6972 Specdb::MsIr 6973 Specdb::MsMs 76404 Specdb::MsMs 76405 Specdb::MsMs 76406 Specdb::MsMs 136227 Specdb::MsMs 136228 Specdb::MsMs 136229 Specdb::MsMs 2779702 Specdb::MsMs 2779703 Specdb::MsMs 2779704 Specdb::MsMs 2903178 Specdb::MsMs 2903179 Specdb::MsMs 2903180 Specdb::NmrOneD 132398 Specdb::NmrOneD 132399 Specdb::NmrOneD 132400 Specdb::NmrOneD 132401 Specdb::NmrOneD 132402 Specdb::NmrOneD 132403 Specdb::NmrOneD 132404 Specdb::NmrOneD 132405 Specdb::NmrOneD 132406 Specdb::NmrOneD 132407 Specdb::NmrOneD 132408 Specdb::NmrOneD 132409 Specdb::NmrOneD 132410 Specdb::NmrOneD 132411 Specdb::NmrOneD 132412 Specdb::NmrOneD 132413 Specdb::NmrOneD 132414 Specdb::NmrOneD 132415 Specdb::NmrOneD 132416 Specdb::NmrOneD 132417 HMDB35717 #<Reference:0x000055ce33098880> Asparagus Type 1 specific Asparagus officinalis 4686 Green vegetables Unknown generic