alpha-Ketoglutarate
PubChem CID: 164533
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| Compound Synonyms | alpha-ketoglutarate, ketoglutarate, 64-15-3, 2-oxopentanedioate, 2-oxoglutarate(2-), 2-ketoglutarate, Pentanedioic acid, 2-oxo-, ion(2-), 2 Ketoglutarate, alphaketoglutarate, 2-oxopentanedionate, 2-Oxoglutamate, Pentanedioic acid,2-oxo-, ion(2-), alpha-oxoglutarate, 2xzw, 3hww, 2-oxopentanedionic acid, 4-Carboxy-2-oxo-butyrate, CHEBI:16810, DTXSID80213974, KPGXRSRHYNQIFN-UHFFFAOYSA-L, 2-oxopentanedioic acid, ion(2-), 4-Carboxy-2-oxo-butyric acid anion, Q27102088 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 97.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | True |
| Deep Smiles | [O-]C=O)CCC=O)C=O)[O-] |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Keto acids and derivatives |
| Classyfire Subclass | Gamma-keto acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 160.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-oxopentanedioate |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 0.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H4O5-2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KPGXRSRHYNQIFN-UHFFFAOYSA-L |
| Silicos It Class | Soluble |
| Fcsp3 | 0.4 |
| Rotatable Bond Count | 2.0 |
| Synonyms | α-ketoglutaric acid |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)C(=O)[O-], CC(=O)[O-] |
| Compound Name | alpha-Ketoglutarate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 144.006 |
| Formal Charge | -2.0 |
| Monoisotopic Mass | 144.006 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 144.08 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -1.3702083999999999 |
| Inchi | InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)/p-2 |
| Smiles | C(CC(=O)[O-])C(=O)C(=O)[O-] |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
- 1. Outgoing r'ship
FOUND_INto/from Chlamydomonas Reinhardtii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Delonix Regia (Plant) Rel Props:Reference:ISBN:9770972795006 - 3. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Reference:ISBN:9788172361150