1.0 2010-04-08 22:04:42 UTC 2020-02-24 19:10:14 UTC FDB000778 Asparagusic acid Isolated from asparagus (Asparagus officinalis) [DFC] Asparagusic acid is an organosulfur carboxylic acid present in the vegetable asparagus and may be the metabolic precursor to other odorous thiol compounds. Biosynthetic studies revealed that asparagusic acid is derived from isobutyric acid. [Wikipedia]. Asparagusic acid is found in asparagus and green vegetables. 1,2-Dithiolane-4-carboxylic acid Aacocf3 Arachidonic acid trifluoromethylketone Asparagusate Asparagusic acid C4H6O2S2 150.219 149.980920816 1,2-dithiolane-4-carboxylic acid asparagusic acid 2224-02-4 OC(=O)C1CSSC1 InChI=1S/C4H6O2S2/c5-4(6)3-1-7-8-2-3/h3H,1-2H2,(H,5,6) AYGMEFRECNWRJC-UHFFFAOYSA-N belongs to the class of organic compounds known as 1,2-dithiolane-4-carboxylic acids. These are organic compounds containing a 1,2-dithiolane ring that bears a carboxylic acid group at the 4-position. 1,2-dithiolane-4-carboxylic acids Organic compounds Organoheterocyclic compounds Dithiolanes Dithiolanecarboxylic acids Aliphatic heteromonocyclic compounds 1,2-dithiolanes Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic disulfides Organic oxides 1,2-dithiolane 1,2-dithiolane-4-carboxylic acid Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Organic disulfide Organic oxide Organic oxygen compound Organooxygen compound dithiolanecarboxylic acid dithiolanes sulfur-containing carboxylic acid logp 0.51 ALOGPS logs -0.96 ALOGPS solubility 1.63e+01 g/l ALOGPS melting_point Mp 75.7-76.5° logp 0.79 ChemAxon pka_strongest_acidic 3.98 ChemAxon iupac 1,2-dithiolane-4-carboxylic acid ChemAxon average_mass 150.219 ChemAxon mono_mass 149.980920816 ChemAxon smiles OC(=O)C1CSSC1 ChemAxon formula C4H6O2S2 ChemAxon inchi InChI=1S/C4H6O2S2/c5-4(6)3-1-7-8-2-3/h3H,1-2H2,(H,5,6) ChemAxon inchikey AYGMEFRECNWRJC-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 35.96 ChemAxon polarizability 13.57 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22844 Specdb::CMs 41471 Specdb::CMs 132462 Specdb::CMs 140196 Specdb::MsIr 3497 Specdb::MsIr 3498 Specdb::MsIr 3499 Specdb::MsMs 12260 Specdb::MsMs 12261 Specdb::MsMs 12262 Specdb::MsMs 18932 Specdb::MsMs 18933 Specdb::MsMs 18934 Specdb::MsMs 2807357 Specdb::MsMs 2807358 Specdb::MsMs 2807359 Specdb::MsMs 2898819 Specdb::MsMs 2898820 Specdb::MsMs 2898821 Specdb::NmrOneD 158790 Specdb::NmrOneD 158791 Specdb::NmrOneD 158792 Specdb::NmrOneD 158793 Specdb::NmrOneD 158794 Specdb::NmrOneD 158795 Specdb::NmrOneD 158796 Specdb::NmrOneD 158797 Specdb::NmrOneD 158798 Specdb::NmrOneD 158799 Specdb::NmrOneD 158800 Specdb::NmrOneD 158801 Specdb::NmrOneD 158802 Specdb::NmrOneD 158803 Specdb::NmrOneD 158804 Specdb::NmrOneD 158805 Specdb::NmrOneD 158806 Specdb::NmrOneD 158807 Specdb::NmrOneD 158808 Specdb::NmrOneD 158809 HMDB29611 18091 #<Reference:0x000055ce327a88d8> Asparagus Type 1 specific Asparagus officinalis 4686 Green vegetables Unknown generic Allelopathic 42 Nematicide 1141 A substance used to destroy pests of the phylum Nematoda (roundworms). Nemativoistat 1144 Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.