D-arabinonic acid
PubChem CID: 122045
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| Compound Synonyms | D-arabinonic acid, Arabic acid, Arabinonic acid, 32609-14-6, Arabonic acid, D-Arabonic acid, 13752-83-5, 488-30-2, Arabinonate, (2S,3R,4R)-2,3,4,5-tetrahydroxypentanoic acid, Arabinonic acid, DL-, 4F3DFQ2NA3, D-Arabonate, 6MB7RT6FS7, arbonic acid, ARABINIC ACID, UNII-4F3DFQ2NA3, SCHEMBL192117, DTXSID3074991, CHEBI:20912, MA15723, FA160119, DB-230161, C00878, E38ABBA6-D029-42A8-9CBE-FCEF81C541C3, Q27109364, D8T |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 118.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Monosaccharides |
| Deep Smiles | OC[C@H][C@H][C@@H]C=O)O))O))O))O |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Description | Arabinonic acid is a substrate of L-arabinonate dehydratase [EC 4.2.1.25] in pathway ascorbate and aldarate metabolism. (KEGG) [HMDB] |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 135.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2S,3R,4R)-2,3,4,5-tetrahydroxypentanoic acid |
| Class | Carbohydrates and carbohydrate conjugates |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -2.7 |
| Superclass | Organooxygen compounds |
| Subclass | Sugar acids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H10O6 |
| Inchi Key | QXKAIJAYHKCRRA-JJYYJPOSSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Synonyms | Arabinonate, Arabinonic acid, D-Arabonate, D-Arabonic acid, D-Arabinonic acid, D-Arabinonate, Arabate, Arabic acid, sodium salt, Sodium arabate, Arabic acid, 2,3,4,5-Tetrahydroxypentanoic acid, Arabonate, Arabonic acid, arabic acid, arabic-acid, arabinonic acid |
| Substituent Name | Hydroxy fatty acid, Sugar acid, Short-chain hydroxy acid, Beta-hydroxy acid, Fatty acyl, Fatty acid, Monosaccharide, Hydroxy acid, Alpha-hydroxy acid, Secondary alcohol, Polyol, 1,2-diol, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Primary alcohol, Carbonyl group, Alcohol, Aliphatic acyclic compound |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CO |
| Compound Name | D-arabinonic acid |
| Kingdom | Organic compounds |
| Exact Mass | 166.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 166.13 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3-,4+/m1/s1 |
| Smiles | C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Sugar acids and derivatives |
| Np Classifier Superclass | Saccharides |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Senegal (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 2. Outgoing r'ship
FOUND_INto/from Equisetum Arvense (Plant) Rel Props:Reference:ISBN:9788185042084 - 3. Outgoing r'ship
FOUND_INto/from Nigella Sativa (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279