2-Oxoglutarate(1-)
PubChem CID: 5188693
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| Compound Synonyms | 2-oxoglutarate(1-), 5-hydroxy-2,5-dioxopentanoate, 2-ketoglutarate, 2 Ketoglutarate, CHEBI:30916, 4-carboxy-2-oxobutanoate, DTXSID901297057, Pentanedioic acid, 2-oxo-, ion(1-), 144509-68-2, Q27114020 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 94.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | KPGXRSRHYNQIFN-UHFFFAOYSA-M |
| Fcsp3 | 0.4 |
| Rotatable Bond Count | 3.0 |
| Heavy Atom Count | 10.0 |
| Compound Name | 2-Oxoglutarate(1-) |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 145.014 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 145.014 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 165.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 145.09 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-2,5-dioxopentanoate |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -0.46925799999999984 |
| Inchi | InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)/p-1 |
| Smiles | C(CC(=O)O)C(=O)C(=O)[O-] |
| Xlogp | -0.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C5H5O5- |
- 1. Outgoing r'ship
FOUND_INto/from Chaenomeles Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients