Aldobiouronic acid
PubChem CID: 157009990
Connections displayed (default: 10).
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| Compound Synonyms | Aldobiouronic acid |
|---|---|
| Topological Polar Surface Area | 196.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Inchi Key | ZXJXQFVZRHATEK-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| Heavy Atom Count | 24.0 |
| Compound Name | Aldobiouronic acid |
| Description | Aldobiouronic acid is also known as aldobiouronate. Aldobiouronic acid is soluble (in water) and a very weakly acidic compound (based on its pKa). Aldobiouronic acid can be found in almond and corn, which makes aldobiouronic acid a potential biomarker for the consumption of these food products. |
| Exact Mass | 356.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 356.095 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 421.0 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 356.28 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [3,4,5-trihydroxy-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-2-yl] formate |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C12H20O12/c13-2-22-12-9(19)6(16)8(18)11(24-12)21-1-3-4(14)5(15)7(17)10(20)23-3/h2-12,14-20H,1H2 |
| Smiles | C(C1C(C(C(C(O1)O)O)O)O)OC2C(C(C(C(O2)OC=O)O)O)O |
| Xlogp | -4.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C12H20O12 |
- 1. Outgoing r'ship
FOUND_INto/from Prunus Dulcis (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all