alpha-D-glucopyranuronic acid
PubChem CID: 444791
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| Compound Synonyms | a-d-glucopyranuronic acid, 70021-34-0, alpha-D-glucopyranuronic acid, alpha-D-glucuronic acid, M7Y086VB5G, (2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid, (2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-carboxylic acid, Glucosiduronate, GCU, D-(+)-glucuronic acid, Glucuronic acid, alpha-D-, UNII-M7Y086VB5G, GlcAalpha, GlcAa, delta-glucuronate, alpha-D-Glucopyranosyluronic acid, D-(+)-glucuronate, delta-(+)-glucuronate, alpha-delta-glucuronic acid, delta-(+)-glucuronic acid, SCHEMBL6851, alpha-delta-glucopyranuronic acid, CHEBI:42717, .ALPHA.-D-GLUCURONIC ACID, DTXSID201036416, ALFA-D-GLUCOPYRANURONIC ACID, GLUCURONIC ACID, ALPHA.-D-, AKOS015855520, .ALPHA.-D-GLUCOPYRANURONIC ACID, AS-76367, .ALPHA.-D-GLUCOPYRANOSYLURONIC ACID, D93555, SBI-0633919.0002, alpha-D-glucuronic acid, D-glucuronic acid, glucuronic acid |
|---|---|
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 13.0 |
| Pathway Kegg Map Id | map00562, map00500 |
| Description | Glucuronic acid is a carboxylic acid that has the structure of a glucose molecule that has had its sixth carbon atom (of six total) oxidized. The salts of glucuronic acid are known as glucuronates. Glucuronic acid is highly soluble in water. In the animal body, glucuronic acid is often linked to poisonous substances to allow for subsequent elimination, and to hormones to allow for easier transport. These linkages involve O-glycosidic bonds. The process is known as glucuronidation, and the resulting substances are known as glucuronides (or glucuronosides). Glucuronidation uses UDP-glucuronic acid (glucuronic acid linked via a glycosidic bond to uridine diphosphate) as an intermediate. UDP-glucuronic acid is formed in the liver of all animals. [HMDB] Widely distributed in plants, where it occurs in gums, mucilages, saponins and flavone glycosides and in animals as a constituent of mucopolysaccharides. Glycosides are formed in the liver to detoxify poisonous hydroxyl-containing substances. Phenyl, cresyl and indoxyl glycosides are present in normal urine. [CCD]. beta-D-Glucuronic acid is found in many foods, some of which are cashew nut, american cranberry, sour cherry, and soy bean. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 205.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Enzyme Uniprot Id | Q9BY64, P06133, P22310, P36537, P16662, P54855, Q9Y4X1, P22309, O60656, Q9HAW9, P35503, Q9HAW8, O75795, P19224, P35504, O75310, Q9HAW7, P08236, Q6UWM9, Q9UL01 |
| Uniprot Id | Q9BY64, P06133, P22310, P36537, P16662, P54855, Q9Y4X1, P22309, O60656, Q9HAW9, P35503, Q9HAW8, O75795, P19224, P35504, O75310, Q9HAW7, P08236, Q9UGB7, Q6UWM9, Q9UEF7, Q9UL01, Q9NUJ1 |
| Iupac Name | (2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid |
| Prediction Hob | 1.0 |
| Class | Carbohydrates and carbohydrate conjugates |
| Xlogp | -2.3 |
| Superclass | Organooxygen compounds |
| Subclass | Sugar acids and derivatives |
| Molecular Formula | C6H10O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AEMOLEFTQBMNLQ-WAXACMCWSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -0.069 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | -1.578 |
| Synonyms | alpha-D-Glucopyranuronic acid, alpha-D-Glucuronic acid, alpha-delta-Glucopyranuronic acid, alpha-delta-Glucuronic acid, D-(+)-Glucuronate, D-(+)-Glucuronic acid, D-Glucuronate, D-GLUCURONIC ACID, delta-(+)-Glucuronate, delta-(+)-Glucuronic acid, delta-Glucuronate, GCU, GlcAa, GlcAalpha, Glucosiduronate, Glucosiduronic acid, Glucuronate, Glucuronic acid, D-Glucopyranuronic acid, alpha-D-Glucopyranosyluronic acid, α-D-Glucopyranosyluronic acid, α-D-Glucopyranuronic acid |
| Substituent Name | Glucuronic acid or derivatives, Pyran carboxylic acid, Pyran carboxylic acid or derivatives, Beta-hydroxy acid, Pyran, Oxane, Monosaccharide, Hydroxy acid, Secondary alcohol, Polyol, Hemiacetal, 1,2-diol, Oxacycle, Organoheterocyclic compound, Monocarboxylic acid or derivatives, Ether, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Carbonyl group, Alcohol, Aliphatic heteromonocyclic compound |
| Compound Name | alpha-D-glucopyranuronic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 194.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.043 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 194.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Esol | 0.4965382 |
| Inchi | InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6-/m0/s1 |
| Smiles | [C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Glucuronic acid derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Alstonia Muelleriana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Anacardium Occidentale (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Artemisia Cina (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Capparis Spinosa (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Coreopsis Nodosa (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Dacrydium Cupressinum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all - 8. Outgoing r'ship
FOUND_INto/from Glycine Tomentella (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Haematococcus Lacustris (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Linum Usitatissimum (Plant) Rel Props:Source_db:fooddb_chem_all - 11. Outgoing r'ship
FOUND_INto/from Nicotiana Undulata (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Panax Schinseng (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Passiflora Incarnata (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Prunus Cerasus (Plant) Rel Props:Source_db:fooddb_chem_all - 15. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Source_db:fooddb_chem_all - 16. Outgoing r'ship
FOUND_INto/from Senecio Paludaffinis (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Sinapis Alba (Plant) Rel Props:Source_db:fooddb_chem_all - 18. Outgoing r'ship
FOUND_INto/from Trigonella Grandiflora (Plant) Rel Props:Source_db:cmaup_ingredients - 19. Outgoing r'ship
FOUND_INto/from Tripolium Pannonicum (Plant) Rel Props:Source_db:cmaup_ingredients - 20. Outgoing r'ship
FOUND_INto/from Uvaria Calamistrata (Plant) Rel Props:Source_db:cmaup_ingredients - 21. Outgoing r'ship
FOUND_INto/from Vaccinium Macrocarpon (Plant) Rel Props:Source_db:fooddb_chem_all