1.0 2011-09-21 00:22:39 UTC 2025-11-19 02:42:56 UTC FDB022975 Hawkinsin Hawkinsin is a sulfur amino acid identified as (2-l-cystein-S-yl, 4-dihydroxycyclohex-5-en-1-yl)acetic acid. Patients with hawkinsinuria excrete this metabolite in their urine throughout their life, although symptoms of metabolic acidosis and tyrosinemia improve in the first year of life. Alterations in the structure and activity of 4-hydroxyphenylpyruvic acid dioxygenase are causally related to two different metabolic disorders, tyrosinemia type III and hawkinsinuria. (PMID 11073718) [HMDB] Hawkinsin C11H17NO6S 291.321 291.077657971 2-amino-3-{[2-(carboxymethyl)-2,5-dihydroxycyclohex-3-en-1-yl]sulfanyl}propanoic acid hawkinsin 63224-90-8 NC(CSC1CC(O)C=CC1(O)CC(O)=O)C(O)=O InChI=1S/C11H17NO6S/c12-7(10(16)17)5-19-8-3-6(13)1-2-11(8,18)4-9(14)15/h1-2,6-8,13,18H,3-5,12H2,(H,14,15)(H,16,17) SPXVLTDISXZSFM-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 homomonocyclic compounds Alpha amino acids Amino acids Carbonyl compounds Carboxylic acids Dialkylthioethers Dicarboxylic acids and derivatives Hydrocarbon derivatives Hydroxy fatty acids Monoalkylamines Organic oxides Organopnictogen compounds Secondary alcohols Sulfenyl compounds Tertiary alcohols Thia fatty acids Alcohol Aliphatic homomonocyclic compound Alpha-amino acid Amine Amino acid Carbonyl group Carboxylic acid Cysteine or derivatives Dialkylthioether Dicarboxylic acid or derivatives Fatty acyl Hydrocarbon derivative Hydroxy fatty acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Primary aliphatic amine Primary amine Secondary alcohol Sulfenyl compound Tertiary alcohol Thia fatty acid Thioether Solid logp -3.19 ALOGPS logs -1.41 ALOGPS solubility 1.14e+01 g/l ALOGPS logp -3.9 ChemAxon pka_strongest_acidic 1.94 ChemAxon pka_strongest_basic 9.13 ChemAxon iupac 2-amino-3-{[2-(carboxymethyl)-2,5-dihydroxycyclohex-3-en-1-yl]sulfanyl}propanoic acid ChemAxon average_mass 291.321 ChemAxon mono_mass 291.077657971 ChemAxon smiles NC(CSC1CC(O)C=CC1(O)CC(O)=O)C(O)=O ChemAxon formula C11H17NO6S ChemAxon inchi InChI=1S/C11H17NO6S/c12-7(10(16)17)5-19-8-3-6(13)1-2-11(8,18)4-9(14)15/h1-2,6-8,13,18H,3-5,12H2,(H,14,15)(H,16,17) ChemAxon inchikey SPXVLTDISXZSFM-UHFFFAOYSA-N ChemAxon polar_surface_area 141.08 ChemAxon refractivity 68.53 ChemAxon polarizability 27.83 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24578 Specdb::CMs 38384 Specdb::CMs 173985 Specdb::MsMs 97554 Specdb::MsMs 97555 Specdb::MsMs 97556 Specdb::MsMs 162300 Specdb::MsMs 162301 Specdb::MsMs 162302 Specdb::MsMs 2295042 Specdb::MsMs 2295043 Specdb::MsMs 2295044 Specdb::MsMs 2640319 Specdb::MsMs 2640320 Specdb::MsMs 2640321 Specdb::NmrOneD 122378 Specdb::NmrOneD 122379 Specdb::NmrOneD 122380 Specdb::NmrOneD 122381 Specdb::NmrOneD 122382 Specdb::NmrOneD 122383 Specdb::NmrOneD 122384 Specdb::NmrOneD 122385 Specdb::NmrOneD 122386 Specdb::NmrOneD 122387 Specdb::NmrOneD 122388 Specdb::NmrOneD 122389 Specdb::NmrOneD 122390 Specdb::NmrOneD 122391 Specdb::NmrOneD 122392 Specdb::NmrOneD 122393 Specdb::NmrOneD 122394 Specdb::NmrOneD 122395 Specdb::NmrOneD 122396 Specdb::NmrOneD 122397 HMDB02354 #<Reference:0x000055ce31cca498> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823