1.0 2011-09-21 00:23:08 UTC 2025-11-19 02:43:00 UTC FDB023004 Sumiki's acid Sumiki's acid is a naturally occurring human metabolite. (PMID: 949837) Sumiki's acid was first identified in the urine of a leukemic patient who was excreting an abnormal amount of its glycine derivative. (PMID: 5043270) Sumiki's acid was found to be excreted by normal subjects after a Phenylalanine loading, while heterozygotes for phenylketonuria don't excrete it (instead, they excrete 2-Hydroxybenzeneacetic acid). (PMID: 4708049) Patients receiving furan-containing sugar solutions i.v. convert 50% of the 5-hydroxymethyl-2-furfural into Sumiki's acid. (PMID: 4202014) [HMDB] 5-(hydroxymethyl)- 2-Furancarboxylate 5-(hydroxymethyl)-2-Furoate 5-(hydroxymethyl)-2-Furoic acid 5-Hydroxymethyl-2-furancarboxylate 5-Hydroxymethyl-2-furancarboxylic acid 5-Hydroxymethyl-2-furoate 5-Hydroxymethyl-2-furoic acid 5-Hydroxymethyl-furan-2-carboxylate 5-Hydroxymethyl-furan-2-carboxylic acid 5-Hydroxymethylfuran-2-carboxylic acid 5-hydroxymethylfuranoate 5-hydroxymethylfuranoic acid 5-hydroxymethylfuroate 5-hydroxymethylfuroic acid C6H6O4 142.1094 142.02660868 5-(hydroxymethyl)furan-2-carboxylic acid 5-hydroxymethyl-2-furoic acid 6338-41-6 OCC1=CC=C(O1)C(O)=O InChI=1S/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9) PCSKKIUURRTAEM-UHFFFAOYSA-N belongs to the class of organic compounds known as furoic acids. These are organic compounds containing a furoic acid moiety, with a structure characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom. Furoic acids Organic compounds Organoheterocyclic compounds Furans Furoic acid and derivatives Aromatic heteromonocyclic compounds Aromatic alcohols Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Primary alcohols Alcohol Aromatic alcohol Aromatic heteromonocyclic compound Carboxylic acid Carboxylic acid derivative Furoic acid Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Primary alcohol Solid logp 0.11 ALOGPS logs -0.66 ALOGPS solubility 3.09e+01 g/l ALOGPS logp -0.16 ChemAxon pka_strongest_acidic -6.6 ChemAxon pka_strongest_basic 6.42 ChemAxon iupac 5-(hydroxymethyl)furan-2-carboxylic acid ChemAxon average_mass 142.1094 ChemAxon mono_mass 142.02660868 ChemAxon smiles OCC1=CC=C(O1)C(O)=O ChemAxon formula C6H6O4 ChemAxon inchi InChI=1S/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9) ChemAxon inchikey PCSKKIUURRTAEM-UHFFFAOYSA-N ChemAxon polar_surface_area 70.67 ChemAxon refractivity 32.4 ChemAxon polarizability 13.01 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 24 Specdb::MsIr 36 Specdb::MsIr 1771 Specdb::MsIr 1772 Specdb::MsIr 1773 Specdb::CMs 23416 Specdb::CMs 38419 Specdb::CMs 162242 Specdb::NmrOneD 1890 Specdb::NmrOneD 149320 Specdb::NmrOneD 149321 Specdb::NmrOneD 149322 Specdb::NmrOneD 149323 Specdb::NmrOneD 149324 Specdb::NmrOneD 149325 Specdb::NmrOneD 149326 Specdb::NmrOneD 149327 Specdb::NmrOneD 149328 Specdb::NmrOneD 149329 Specdb::NmrOneD 149330 Specdb::NmrOneD 149331 Specdb::NmrOneD 149332 Specdb::NmrOneD 149333 Specdb::NmrOneD 149334 Specdb::NmrOneD 149335 Specdb::NmrOneD 149336 Specdb::NmrOneD 149337 Specdb::NmrOneD 149338 Specdb::NmrOneD 149339 Specdb::MsMs 66939 Specdb::MsMs 66940 Specdb::MsMs 66941 Specdb::MsMs 124629 Specdb::MsMs 124630 Specdb::MsMs 124631 Specdb::MsMs 1472143 Specdb::MsMs 1472144 Specdb::MsMs 1472145 Specdb::MsMs 1472146 Specdb::MsMs 1472147 Specdb::MsMs 1472148 Specdb::MsMs 1472149 Specdb::MsMs 1472150 Specdb::MsMs 1472151 Specdb::MsMs 1472152 Specdb::MsMs 1472153 Specdb::MsMs 1472154 Specdb::MsMs 1472155 Specdb::MsMs 1472156 Specdb::MsMs 1472157 Specdb::MsMs 1472158 Specdb::MsMs 1476480 Specdb::MsMs 1476481 Specdb::MsMs 1476482 HMDB02432 #<Reference:0x000055ce32d55f60> #<Reference:0x000055ce32d55d30> #<Reference:0x000055ce32d55b28> #<Reference:0x000055ce32d55808> 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