2-Keto palmitic acid
PubChem CID: 5282996
Connections displayed (default: 10).
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| Compound Synonyms | 2-keto palmitic acid, 2-oxohexadecanoic acid, 2-oxo-hexadecanoic acid, 2-oxopalmitic acid, 2570-24-3, 2-ketopalmitic acid, 2oxo-PALM, 2-ketohexadecanoic acid, SCHEMBL338260, CHEBI:86988, DTXSID10415262, LMFA01060050, Q27159313 |
|---|---|
| Topological Polar Surface Area | 54.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 236.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-oxohexadecanoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 6.5 |
| Molecular Formula | C16H30O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZVNHILZUTNYFGT-UHFFFAOYSA-N |
| Fcsp3 | 0.875 |
| Logs | -3.507 |
| Rotatable Bond Count | 14.0 |
| Logd | 2.987 |
| Compound Name | 2-Keto palmitic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.219 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 270.41 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.254611 |
| Inchi | InChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h2-14H2,1H3,(H,18,19) |
| Smiles | CCCCCCCCCCCCCCC(=O)C(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eschweilera Coriacea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Eucalyptus Cladocalyx (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Peltodon Longipes (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Podocarpus Elongata (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Salvadora Persica (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Ulva Pertusa (Plant) Rel Props:Source_db:cmaup_ingredients