Galactinol
PubChem CID: 11727586
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| Compound Synonyms | Galactinol, 3687-64-7, 1-alpha-D-Galactosyl-myo-inositol, alpha-D-galactosyl-(1->3)-1D-myo-inositol, GALACTINOL HYDRATE, WZE56L8UKR, 1-O-alpha-D-Galactosyl-D-myo-inositol, CHEBI:17505, 3-O-alpha-D-Galactosyl-1D-myo-inositol, O-alpha-D-galactosyl-(1->3)-1D-myo-inositol, 6beta-Galactinol, UNII-WZE56L8UKR, 3-O-alpha-D-Galactopyranosyl-D-myo-inositol, EINECS 222-982-1, C01235, D-myo-Inositol, 3-O-.alpha.-D-galactopyranosyl-, (+)-GALACTINOL, Epitope ID:153194, SCHEMBL8021036, DTXSID10958068, 1-O-(alpha-D-galactopyranosyl)-myo-inositol dihydrate, BQZ, HY-N9497, 1-alpha-delta-Galactosyl-myo-inositol, 1-O-D-Galactopyranosyl-L-myoinositol, OG07040, CS-0181938, 1-O-alpha-delta-Galactosyl-delta-myo-inositol, E78917, Q27102430, F4A11F81-7A3F-42C1-880F-D585B690C87B, 1-O-?-D-Galactopyranosyl-L-myo-inositol hydrate, myo-Inositol galactoside, (1S,2S,4R,5S)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol |
|---|---|
| Topological Polar Surface Area | 201.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Heavy Atom Count | 23.0 |
| Pathway Kegg Map Id | map00052 |
| Description | Constituent of sugar-beet juice, castor-oil seed meal and potatoes after cold storage Galactinol is an intermediate in galactose metabolism. Galactinol is the, 4th to last step in the synthesis of D-Galactose and the 3rd to last step in the synthesis of D-glucose and D-fructose., Galactinol is converted from UDP-galactose via the enzyme inositol 3-alpha-galactosyltransferase(EC 2.4.1.123). It is then converted to raffinose via the enzyme raffinose synthase (EC 2.4.1.82). Galactinol is found in many foods, some of which are boysenberry, pear, rice, and dill. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 379.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 9.0 |
| Enzyme Uniprot Id | P06280 |
| Iupac Name | (1S,2S,4R,5S)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol |
| Prediction Hob | 0.0 |
| Class | Carbohydrates and carbohydrate conjugates |
| Xlogp | -5.3 |
| Superclass | Organooxygen compounds |
| Subclass | Glycosyl compounds |
| Molecular Formula | C12H22O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VCWMRQDBPZKXKG-ZNVDUFQESA-N |
| Fcsp3 | 1.0 |
| Logs | -0.044 |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Logd | -3.031 |
| Synonyms | 1-alpha-D-Galactosyl-myo-inositol, 1-alpha-delta-Galactosyl-myo-inositol, 1-O-alpha-D-Galactosyl-D-myo-inositol, 1-O-alpha-delta-Galactosyl-delta-myo-inositol, 3-O-a-D-Galactopyranosyl-myo-inositol, 8CI, 3-O-alpha-D-Galactosyl-1D-myo-inositol |
| Substituent Name | O-glycosyl compound, Cyclitol derivative, Cyclohexanol, Oxane, Monosaccharide, Cyclic alcohol, Secondary alcohol, Polyol, 1,2-diol, Oxacycle, Organoheterocyclic compound, Ether, Acetal, Hydrocarbon derivative, Primary alcohol, Alcohol, Aliphatic heteromonocyclic compound |
| Compound Name | Galactinol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.116 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 342.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.8204586000000003 |
| Inchi | InChI=1S/C12H22O11/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20/h2-21H,1H2/t2-,3+,4+,5?,6-,7+,8+,9+,10-,11?,12-/m1/s1 |
| Smiles | C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC2[C@H]([C@H](C([C@H]([C@@H]2O)O)O)O)O)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Beta Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cucumis Sativus (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Pogostemon Auricularis (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Pogostemon Auricularius (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Pogostemon Benghalense (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Pogostemon Benghalensis (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Pogostemon Heyneanus (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Pogostemon Paniculatus (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Pogostemon Parviflorus (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Pogostemon Patchouli (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Pogostemon Plectranthoides (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Pogostemon Pubescens (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Pogostemon Purpurascens (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Pogostemon Rugosus (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Pogostemon Stellatus (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Pogostemon Vestitus (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all - 20. Outgoing r'ship
FOUND_INto/from Trigonella Foenum-Graecum (Plant) Rel Props:Source_db:fooddb_chem_all