1.0 2011-09-21 00:06:32 UTC 2015-07-21 06:56:55 UTC FDB021985 2-Deoxyribonic acid 2-Deoxyribonic acid is the acid form of deoxyribonate (interconvertible with 2-Deoxyribonolactone), produced as part of bistranded lesions by DNA damaging agents, including the antitumor agents bleomycin and the neocarzinostatin chromophore (PMID 2523732). This lesion is also produced by ionizing radiation, organometallic oxidants, and is a metastable intermediate in DNA damage mediated by copper phenanthroline nucleases, and is also formed under anaerobic conditions in the presence of the radiosensitizing agent tirapazamine. (PMID 12600212), and it has been found in normal human biofluids (PMID 2925825, 3829393, 6725493, 7228943). [HMDB] 2-deoxy-D-ribonate 2-deoxy-D-ribonic acid 2-Deoxyribonate C5H10O5 150.1299 150.05282343 (3S,4R)-3,4,5-trihydroxypentanoic acid (3S,4R)-3,4,5-trihydroxypentanoic acid 29625-75-0 OC[C@@H](O)[C@@H](O)CC(O)=O InChI=1S/C5H10O5/c6-2-4(8)3(7)1-5(9)10/h3-4,6-8H,1-2H2,(H,9,10)/t3-,4+/m0/s1 VBUWJOHKCBQXNU-IUYQGCFVSA-N belongs to the class of organic compounds known as beta hydroxy acids and derivatives. Beta hydroxy acids and derivatives are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. Beta hydroxy acids and derivatives Organic compounds Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Fatty acids and conjugates Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Polyols Primary alcohols Secondary alcohols Short-chain hydroxy acids and derivatives Alcohol Aliphatic acyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Polyol Primary alcohol Secondary alcohol Short-chain hydroxy acid pentonic acid Solid logp -2.02 ALOGPS logs 0.53 ALOGPS solubility 5.11e+02 g/l ALOGPS logp -2.1 ChemAxon pka_strongest_acidic 4.03 ChemAxon pka_strongest_basic -3 ChemAxon iupac (3S,4R)-3,4,5-trihydroxypentanoic acid ChemAxon average_mass 150.1299 ChemAxon mono_mass 150.05282343 ChemAxon smiles OC[C@@H](O)[C@@H](O)CC(O)=O ChemAxon formula C5H10O5 ChemAxon inchi InChI=1S/C5H10O5/c6-2-4(8)3(7)1-5(9)10/h3-4,6-8H,1-2H2,(H,9,10)/t3-,4+/m0/s1 ChemAxon inchikey VBUWJOHKCBQXNU-IUYQGCFVSA-N ChemAxon polar_surface_area 97.99 ChemAxon refractivity 30.97 ChemAxon polarizability 13.51 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 454 Specdb::MsIr 455 Specdb::MsIr 456 Specdb::NmrOneD 6622 Specdb::NmrOneD 6623 Specdb::NmrOneD 6624 Specdb::NmrOneD 6625 Specdb::NmrOneD 6626 Specdb::NmrOneD 6627 Specdb::NmrOneD 6628 Specdb::NmrOneD 6629 Specdb::NmrOneD 6630 Specdb::NmrOneD 6631 Specdb::NmrOneD 6632 Specdb::NmrOneD 6633 Specdb::NmrOneD 6634 Specdb::NmrOneD 6635 Specdb::NmrOneD 6636 Specdb::NmrOneD 6637 Specdb::NmrOneD 6638 Specdb::NmrOneD 6639 Specdb::NmrOneD 6640 Specdb::NmrOneD 6641 Specdb::CMs 12243 Specdb::CMs 37469 Specdb::CMs 145909 Specdb::CMs 1059581 Specdb::CMs 1059583 Specdb::CMs 1059584 Specdb::CMs 1059586 Specdb::CMs 1059588 Specdb::CMs 1059590 Specdb::CMs 1059592 Specdb::CMs 1059593 Specdb::CMs 1059595 Specdb::CMs 1059597 Specdb::CMs 1059599 Specdb::CMs 1059600 Specdb::CMs 1059602 Specdb::CMs 1059604 Specdb::CMs 1059606 Specdb::CMs 1059608 Specdb::CMs 1059610 Specdb::CMs 1059612 Specdb::CMs 1059613 Specdb::CMs 1059615 Specdb::CMs 1059617 Specdb::CMs 1059618 Specdb::MsMs 292990 Specdb::MsMs 292991 Specdb::MsMs 292992 Specdb::MsMs 333340 Specdb::MsMs 333341 Specdb::MsMs 333342 Specdb::MsMs 2717472 Specdb::MsMs 2717473 Specdb::MsMs 2717474 Specdb::MsMs 2961900 Specdb::MsMs 2961901 Specdb::MsMs 2961902 HMDB00366 #<Reference:0x00005612710bf458> #<Reference:0x00005612710bf2a0> #<Reference:0x00005612710bf0e8> #<Reference:0x00005612710bef30> #<Reference:0x00005612710be968> #<Reference:0x00005612710be670> #<Reference:0x00005612710be350> 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