Galactonolactone
PubChem CID: 151006
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| Compound Synonyms | Galactonolactone, 2426-46-2, (3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxepan-2-one, delta-Galactonolactone, delta-Galactono-8-lactone, gamma-delta-Galactonolactone, delta-Galactono-1,4-lactone, delta-Galactono-1,5-lactone, Galactonic acid, gamma-lactone, DTXSID60178956, galactonolactones, D-Galactono-7-lactone, galacturonic acid lactone, PQ2MC48DHL, SCHEMBL15630, CHEBI:24150, DTXCID20101447, Galactonic acid, xi-lactone, D-, D-Galactonic acid, epsilon-lactone |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 12.0 |
| Description | Galactonolactone has been determined in human urine by reversed-phase HPLC for the specific evaluation of metabolic by-products in the urine of galactosemic patients and based on the simultaneous determination of gluconolactone, galactonolactone and galactitol. (PMID: 1797843) Patients with galactose-1-phosphate uridyltransferase (GALT) deficiency, given a load of galactose have been shown to excrete six times as much galactonate in their urine as normal subjects exposed to the same experimental conditions. The production of galactonate occurs through the activity of a soluble NAD+-dependent galactose dehydrogenase, catalyzing the conversion of galactose to D-galactonolactone (D-galactose: NAD+ oxidoreductase, EC 1.1.1.48). (OMMBID) [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 181.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxepan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | -2.6 |
| Molecular Formula | C6H10O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WTXGYGWMPUGBAL-MGCNEYSASA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | 0.027 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | -1.99 |
| Synonyms | D-Galactono-1,4-lactone, D-Galactono-1,5-lactone, D-Galactono-8-lactone, D-Galactonolactone, delta-Galactono-1,4-lactone, delta-Galactono-1,5-lactone, delta-Galactono-8-lactone, delta-Galactonolactone, gamma-D-Galactonolactone, gamma-delta-Galactonolactone |
| Compound Name | Galactonolactone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 178.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 178.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 178.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.6809320000000001 |
| Inchi | InChI=1S/C6H10O6/c7-2-1-12-6(11)5(10)4(9)3(2)8/h2-5,7-10H,1H2/t2-,3+,4+,5-/m1/s1 |
| Smiles | C1[C@H]([C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Trichosanthes Kirilowii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Trichosanthes Rosthornii (Plant) Rel Props:Source_db:cmaup_ingredients