Pyruvate
PubChem CID: 107735
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| Compound Synonyms | pyruvate, 2-Oxopropanoate, 57-60-3, Methylglyoxylate, Pyruvate ion, 2-oxopropanoic acid, ion(1-), Propanoic acid, 2-oxo-, ion(1-), HO43T60JMG, CHEBI:15361, DTXSID50205604, Acid, Pyruvic, 2-oxo-Propanoic acid, CHEMBL181886, 2hzl, 2-oxidanylidenepropanoate, UNII-HO43T60JMG, PYRUVIC ACID, ION(1-), DTXCID40128095, LCTONWCANYUPML-UHFFFAOYSA-M, BDBM50159792, DB-007695, DB-053072, A805655, Q27089397 |
|---|---|
| Topological Polar Surface Area | 57.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 6.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 78.5 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-oxopropanoate |
| Prediction Hob | 1.0 |
| Xlogp | -0.6 |
| Molecular Formula | C3H3O3- |
| Prediction Swissadme | 0.0 |
| Inchi Key | LCTONWCANYUPML-UHFFFAOYSA-M |
| Fcsp3 | 0.3333333333333333 |
| Logs | -1.859 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.678 |
| Compound Name | Pyruvate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 87.0082 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 87.0082 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 87.05 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.6665348 |
| Inchi | InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1 |
| Smiles | CC(=O)C(=O)[O-] |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erigeron Annuus (Plant) Rel Props:Source_db:cmaup_ingredients