1.0 2010-04-08 22:04:36 UTC 2025-11-18 22:19:28 UTC FDB000547 Deoxyalliin Trans-s-(1-propenyl)-l-cysteine belongs to cysteine and derivatives class of compounds. Those 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. Trans-s-(1-propenyl)-l-cysteine is soluble (in water) and a moderately acidic compound (based on its pKa). Trans-s-(1-propenyl)-l-cysteine can be found in onion-family vegetables, which makes trans-s-(1-propenyl)-l-cysteine a potential biomarker for the consumption of this food product. 2,3-dimethyl-7-methoxy-8-morpholinochromone Hydrochloride Deoxyalliin C6H11NO2S 161.222 161.051049291 2-amino-3-[(1Z)-prop-1-en-1-ylsulfanyl]propanoic acid 2-amino-3-[(1Z)-prop-1-en-1-ylsulfanyl]propanoic acid 52438-09-2 C\C=C/SCC(N)C(O)=O InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2- HYGGRRPFVXHQQW-IHWYPQMZSA-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 Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Sulfenyl compounds Thioenol ethers Aliphatic acyclic compound Alpha-amino acid Amine Amino acid Carbonyl group Carboxylic acid Cysteine or derivatives 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 Thioenolether logp -1.77 ALOGPS logs -1.12 ALOGPS solubility 1.22e+01 g/l ALOGPS logp -1.9 ChemAxon pka_strongest_acidic 2.5 ChemAxon pka_strongest_basic 9.1 ChemAxon iupac 2-amino-3-[(1Z)-prop-1-en-1-ylsulfanyl]propanoic acid ChemAxon average_mass 161.222 ChemAxon mono_mass 161.051049291 ChemAxon smiles C\C=C/SCC(N)C(O)=O ChemAxon formula C6H11NO2S ChemAxon inchi InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2- ChemAxon inchikey HYGGRRPFVXHQQW-IHWYPQMZSA-N ChemAxon polar_surface_area 63.32 ChemAxon refractivity 42.48 ChemAxon polarizability 16.32 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23580 Specdb::CMs 41360 Specdb::CMs 166283 Specdb::MsIr 3440 Specdb::MsIr 3441 Specdb::MsIr 3442 Specdb::NmrOneD 108858 Specdb::NmrOneD 108859 Specdb::NmrOneD 108860 Specdb::NmrOneD 108861 Specdb::NmrOneD 108862 Specdb::NmrOneD 108863 Specdb::NmrOneD 108864 Specdb::NmrOneD 108865 Specdb::NmrOneD 108866 Specdb::NmrOneD 108867 Specdb::NmrOneD 108868 Specdb::NmrOneD 108869 Specdb::NmrOneD 108870 Specdb::NmrOneD 108871 Specdb::NmrOneD 108872 Specdb::NmrOneD 108873 Specdb::NmrOneD 108874 Specdb::NmrOneD 108875 Specdb::NmrOneD 108876 Specdb::NmrOneD 108877 Specdb::MsMs 61506 Specdb::MsMs 61507 Specdb::MsMs 61508 Specdb::MsMs 118050 Specdb::MsMs 118051 Specdb::MsMs 118052 Specdb::MsMs 2830405 Specdb::MsMs 2830406 Specdb::MsMs 2830407 Specdb::MsMs 2848319 Specdb::MsMs 2848320 Specdb::MsMs 2848321 HMDB0029440 Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682