1.0 2010-04-08 22:10:18 UTC 2019-11-26 03:07:21 UTC FDB012675 S-Allylcysteine Occurs in garlic. Potential nutriceutical. S-Allylcysteine is found in garden onion, soft-necked garlic, and onion-family vegetables. L-Cysteine, S-2-propenyl- L-deoxyallIIn S-2-Propenyl-L-cysteine S-allyl-l -cysteine S-Allylcysteine C6H11NO2S 161.222 161.051049291 2-amino-3-(prop-2-en-1-ylsulfanyl)propanoic acid S-allyl cysteine 21593-77-1 NC(CSCC=C)C(O)=O InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9) ZFAHNWWNDFHPOH-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 Allyl sulfur 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 Allyl sulfur 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 -1.81 ALOGPS logs -1.07 ALOGPS solubility 1.37e+01 g/l ALOGPS melting_point Mp 218° logp -1.8 ChemAxon pka_strongest_acidic 2.53 ChemAxon pka_strongest_basic 9.14 ChemAxon iupac 2-amino-3-(prop-2-en-1-ylsulfanyl)propanoic acid ChemAxon average_mass 161.222 ChemAxon mono_mass 161.051049291 ChemAxon smiles NC(CSCC=C)C(O)=O ChemAxon formula C6H11NO2S ChemAxon inchi InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9) ChemAxon inchikey ZFAHNWWNDFHPOH-UHFFFAOYSA-N ChemAxon polar_surface_area 63.32 ChemAxon refractivity 42.09 ChemAxon polarizability 16.85 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6559 Specdb::MsIr 6560 Specdb::MsIr 6561 Specdb::CMs 16869 Specdb::CMs 43814 Specdb::CMs 156764 Specdb::NmrOneD 125738 Specdb::NmrOneD 125739 Specdb::NmrOneD 125740 Specdb::NmrOneD 125741 Specdb::NmrOneD 125742 Specdb::NmrOneD 125743 Specdb::NmrOneD 125744 Specdb::NmrOneD 125745 Specdb::NmrOneD 125746 Specdb::NmrOneD 125747 Specdb::NmrOneD 125748 Specdb::NmrOneD 125749 Specdb::NmrOneD 125750 Specdb::NmrOneD 125751 Specdb::NmrOneD 125752 Specdb::NmrOneD 125753 Specdb::NmrOneD 125754 Specdb::NmrOneD 125755 Specdb::NmrOneD 125756 Specdb::NmrOneD 125757 Specdb::MsMs 303265 Specdb::MsMs 303266 Specdb::MsMs 303267 Specdb::MsMs 346177 Specdb::MsMs 346178 Specdb::MsMs 346179 Specdb::MsMs 2355126 Specdb::MsMs 2355127 Specdb::MsMs 2355128 Specdb::MsMs 2607969 Specdb::MsMs 2607970 Specdb::MsMs 2607971 HMDB34323 #<Reference:0x000055ac410a22e0> Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Garlic Type 1 specific Allium sativum 4682 Green onion Type 1 Onion-family vegetables Unknown generic Red onion Type 1 Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682 1.0 1.0 1.0 mg/100 g Welsh onion Type 1 specific Allium fistulosum 35875 cooked roasted anti aging 95 Any substance introduced into a living organism with therapeutic or diagnostic purpose. anti atherogenic 136 A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres. anti cancer 159 A substance that inhibits or prevents the proliferation of neoplasms. anti cholesterogenic 182 anti diabetic 228 Any substance introduced into a living organism with therapeutic or diagnostic purpose. anti hepatotoxic 328 Any compound that is able to prevent damage to the liver. anti melanomic 425 A substance that inhibits or prevents the proliferation of neoplasms. anti neuroblastomic 473 anti NF-kappa-B 478 A substance that diminishes the rate of a chemical reaction. anti proliferant 547 anti radicular 572 antioxidant 502 A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324. antitumor 672 A substance that inhibits or prevents the proliferation of neoplasms. chemopreventive 796 A substance that inhibits or prevents the proliferation of neoplasms. glutathione-sparing 956 hepatoprotective 981 Any compound that is able to prevent damage to the liver. hypocholesterolemic 1016 immunostimulant 1032 A substance that augments, stimulates, activates, potentiates, or modulates the immune response at either the cellular or humoral level. A classical agent (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contains bacterial antigens. It could also be endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Its mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy is related to its antigen-specific immunoadjuvanticity. mucokinetic 1121 squalene-monooxygenase inhibitor 1327 A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.