Galactonic acid gamma-lactone, L-
PubChem CID: 6857365
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| Compound Synonyms | L-Galactono-1,4-lactone, 1668-08-2, (3S,4S,5R)-5-((S)-1,2-Dihydroxyethyl)-3,4-dihydroxydihydrofuran-2(3H)-one, L-Galactonic acid, gamma-lactone, (3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one, L-galactono-gamma-lactone, 58UBG0IB0R, Galactono-gamma-lactone, L-, gamma-L-Galactonolactone, L-Galactonic acid, .gamma.-lactone, NSC-25282, L-galactonate-gamma-lactone, L-galactonic acid-g-lactone, L-galactonic acid-gamma-lactone, CHEBI:17464, DTXSID80904658, Galactonic acid gamma-lactone, L-, L-GALACTONO-.GAMMA.-LACTONE, Galactonic acid, gamma-lactone, L-, GALACTONIC ACID .GAMMA.-LACTONE, L-, GALACTONIC ACID, .GAMMA.-LACTONE, L-, MFCD00066466, (3S,4S,5R)-5-((1S)-1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-one, L-GALACTONIC ACID GAMMA-LACTONE, UNII-58UBG0IB0R, 1,4-Anhydro-L-Gal-onic, SCHEMBL419479, DTXCID101333778, L- Galactonic acid gamma- lactone, G83200MX, AKOS016843608, HY-W155493, MG04084, AS-59631, PD132194, CS-0211883, L-Galactono-1,4-lactone, >=95.0% (GC), C01115, E84955, Q27102410, X8X |
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| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | SXZYCXMUPBBULW-NEEWWZBLSA-N |
| Fcsp3 | 0.8333333333333334 |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Compound Name | Galactonic acid gamma-lactone, L- |
| Description | L-galactono-1,4-lactone, also known as L-galactonate-&gamma, -lactone, is a member of the class of compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. L-galactono-1,4-lactone is soluble (in water) and a very weakly acidic compound (based on its pKa). L-galactono-1,4-lactone can be found in a number of food items such as abalone, pear, black-eyed pea, and borage, which makes L-galactono-1,4-lactone a potential biomarker for the consumption of these food products. L-galactono-1,4-lactone may be a unique S.cerevisiae (yeast) metabolite. |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 178.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 178.048 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 181.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 178.14 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | 0.46643200000000007 |
| Inchi | InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3-,4-,5+/m0/s1 |
| Smiles | C([C@@H]([C@@H]1[C@H]([C@@H](C(=O)O1)O)O)O)O |
| Xlogp | -2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C6H10O6 |
- 1. Outgoing r'ship
FOUND_INto/from Arabidopsis Thaliana (Plant) Rel Props:Source_db:cmaup_ingredients