Uric Acid
PubChem CID: 1175
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | uric acid, 69-93-2, urate, Lithic acid, 2,6,8-trioxypurine, 8-hydroxyxanthine, 2,6,8-trihydroxypurine, 7,9-Dihydro-1H-purine-2,6,8(3H)-trione, 2,6,8-Trioxopurine, 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-, 1H-Purine-2,6,8-triol, Purine-2,6,8(1H,3H,9H)-trione, trioxopurine, Uricum acidum, 2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione, NSC 3975, AI3-15432, 1H-purine-2,6,8(3H,7H,9H)-trione, Idelalisib metabolite m54, NSC-3975, EINECS 200-720-7, MFCD00005712, DTXSID3042508, UNII-268B43MJ25, CHEBI:17775, CHEMBL792, 268B43MJ25, 9H-purine-2,6,8-triol, DTXCID1022508, CHEBI:46823, 2,6-dihydroxy-7,9-dihydropurin-8-one, NCGC00181032-01, 8-Hydroxy-3,9-Dihydro-1h-Purine-2,6-Dione, 6,8-Dioxo-6,7,8,9-tetrahydro-1H-purin-2-olate, Acid, Uric, URC, Lithate, hypoxanthinediol, uric acids, uric-acid, 2,8-Trioxopurine, 2,8-Trioxypurine, 8HX, Uric acid (8CI), 2,8-Trihydroxypurine, Uric Acid1547, Uric acid (Standard), 1l5s, 2,6,8-trihydroxypurin, Purine-2,6,8-triol, 1H-Purine-2,8-triol, Uric acid, 99.0%, URIC ACID [MI], bmse000126, H-Purine-2,6,8-triol, SCHEMBL7933, 7H-purine-2,6,8-triol, URICUM ACIDUM [HPUS], GTPL4731, SCHEMBL15777793, SCHEMBL17081907, CHEBI:27226, CHEBI:46811, CHEBI:46814, CHEBI:46817, CHEBI:62589, HY-B2130R, NSC3975, Uric acid, >=99%, crystalline, HMS3604N17, BCP28980, HY-B2130, Purine-2,8(1H,3H,9H)-trione, Tox21_113563, Uric acid, 2,6,8-Trihydroxypurine, BDBM50325824, s3955, STL185577, AKOS000118731, Purine-3,6,8(1H,3H,9H)-trione, CCG-339700, DB08844, FH09609, Uric acid, NIST(R) SRM(R) 913b, CAS-69-93-2, purine-2,6,8-(1H,3H,9H)-trione, Uric acid, BioXtra, >=99% (HPLC), AS-56119, SY057305, 6-hydroxy-1H-purine-2,8(7H,9H)-dione, DB-055359, 2,6,8-Trioxypurine, 2,6,8-Trihydroxypurine, 2,6-dihydroxy-7,9-dihydro-8H-purin-8-one, CS-0020287, NS00009325, U0018, 1H-Purine-2,8(3H)-trione, 7,9-dihydro-, EN300-19268, 7,9-Dihydro-3H-purine-2,6,8-trione(Urate), C00366, SBI-0633468.0002, 1H-Purine-2,6,8-triol 2,6,8-Trihydroxypurine, 7,9-Dihydro-3H-purine-2,6,8-trione(uric acid), Q105522, SR-01000945208, SR-01000945208-1, 565FF3AF-8AFA-4EE9-9FC4-6B119784A5BB, BRD-K01295354-001-02-8, 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro- (9CI), Z104473370, 200-720-7, InChI=1/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 99.3 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CC(C)C2CC(C)CC2C1 |
| Np Classifier Class | Purine alkaloids |
| Deep Smiles | O=c[nH]cc[nH]5)[nH]c=O)[nH]c6=O |
| Heavy Atom Count | 12.0 |
| Pathway Kegg Map Id | map00230 |
| Classyfire Class | Imidazopyrimidines |
| Description | Occurs as phosphate in yeast and meat products For example, some researchers propose that hyperuricemia-induced oxidative stress is a cause of metabolic syndrome. On the other hand, plasma uric acid levels correlate with longevity in primates and other mammals. This is presumably a function of urate's antioxidant properties., Uric acid (or urate) is an organic compound of carbon, nitrogen, oxygen and hydrogen with the formula C5H4N4O3., Uric acid is a heterocyclic purine derivative that is the final oxidation product of purine metabolism. It is produced by the enzyme xanthine oxidase, which oxidizes oxypurines such as xanthine into uric acid. In most mammals, except humans and higher primates, the enzyme uricase further oxidizes uric acid to allantoin. Uric acid is also the end product of nitrogen metabolism in birds and reptiles. In such species, it is excreted in feces as a dry mass. Humans produce only small quantities of uric acid with excess accumulation leading to a type of arthritis known as gout. The loss of uricase in higher primates parallels the similar loss of the ability to synthesize ascorbic acid vitamin C. This may be because in higher primates uric acid partially replaces ascorbic acid. Uric acid is found in many foods, some of which are common oregano, yellow zucchini, watermelon, and other bread. |
| Scaffold Graph Node Level | OC1NC(O)C2NC(O)NC2N1 |
| Classyfire Subclass | Purines and purine derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 332.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | P06737 |
| Uniprot Id | P47989, P06737, n.a., Q9Y2T3, Q8TCC7, O88909, Q4U2R8, P0DTD1 |
| Iupac Name | 7,9-dihydro-3H-purine-2,6,8-trione |
| Prediction Hob | 1.0 |
| Class | Imidazopyrimidines |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Target Id | NPT876, NPT669 |
| Xlogp | -1.9 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Purines and purine derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H4N4O3 |
| Scaffold Graph Node Bond Level | O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LEHOTFFKMJEONL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.0 |
| Logs | -3.639 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | 0.039 |
| Synonyms | 1H-Purine-2, 6,8-triol, 1H-Purine-2,6,8-triol, 1H-Purine-2,6,8-triol 2,6,8-Trihydroxypurine, 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-, 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro- (9CI), 2,6-dihydroxy-7,9-dihydro-8H-purin-8-one, 2,6, 8-Trioxypurine, 2,6,8-Trihydroxypurine, 2,6,8-Trioxopurine, 2,6,8-Trioxypurine, 2,6,8(1H,3H,9H)-Purinetrione, 6,8-Dioxo-6,7,8,9-tetrahydro-1H-purin-2-olate, 7,9-Dihydro-1H-purine-2,6,8(3H)-trione, 7,9-Dihydro-1H-purine-2,6,8(3H)-trione, 9CI, 7,9-dihydro-3H-purine-2,6,8-trione, 7H-purine-2,6,8-triol, 8-Hydroxyxanthine, 9H-purine-2,6,8-triol, Acid urate, ammonium, Acid urate, sodium, Acid, uric, Acidum Uricum-Injeel Forte Liq (D6-D200), Ammonium acid urate, Lithate, Lithic acid, Monohydrate, monosodium urate, Monohydrate, sodium urate, Monosodium urate, Monosodium urate monohydrate, Potassium urate, purine-2,6,8-(1H,3H,9H)-trione, Purine-2,6,8-triol, Purine-2,6,8(1H,3H,9H)-trione, Purine-3,6,8(1H,3H,9H)-trione, Sodium acid urate, Sodium acid urate monohydrate, Sodium urate, Sodium urate monohydrate, Trioxopurine, Urate, Urate monohydrate, monosodium, Urate monohydrate, sodium, Urate, ammonium acid, Urate, monosodium, Urate, potassium, Urate, sodium, Urate, sodium acid, URC, Uric acid (8CI), Uric oxide, Uricum acidum, Uricum Acidum 3-30ch, uric acid |
| Esol Class | Very soluble |
| Functional Groups | c=O, c[nH]c |
| Compound Name | Uric Acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 168.028 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.028 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 168.11 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -1.4624943999999998 |
| Inchi | InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12) |
| Smiles | C12=C(NC(=O)N1)NC(=O)NC2=O |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Xanthines |
| Np Classifier Superclass | Pseudoalkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Cuminum Cyminum (Plant) Rel Props:Reference:ISBN:9788172361150 - 2. Outgoing r'ship
FOUND_INto/from Lepidium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Orthosiphon Aristatus (Plant) Rel Props:Reference:ISBN:9780387706375 - 4. Outgoing r'ship
FOUND_INto/from Ricinus Communis (Plant) Rel Props:Reference:ISBN:9788171360536; ISBN:9788172360818 - 5. Outgoing r'ship
FOUND_INto/from Veronica Beccabunga (Plant) Rel Props:Reference:ISBN:9780387706375