18-Oxooleate
PubChem CID: 56928100
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| Compound Synonyms | 18-OXOOLEATE, 18-oxo-9Z-octadecenoate, 18-oxo-octadec-9-enoic acid, 18-oxooleic acid, SCHEMBL3240568, CHEBI:133357, (9Z)-18-oxooctadec-9-enoic acid, C19617 |
|---|---|
| Topological Polar Surface Area | 54.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 272.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-18-oxooctadec-9-enoic acid |
| Nih Violation | True |
| Prediction Hob | 0.0 |
| Xlogp | 5.4 |
| Is Pains | False |
| Molecular Formula | C18H32O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SNOSCANYFCXCGY-UPHRSURJSA-N |
| Fcsp3 | 0.7777777777777778 |
| Rotatable Bond Count | 16.0 |
| Compound Name | 18-Oxooleate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 296.235 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 296.235 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 296.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.294896199999999 |
| Inchi | InChI=1S/C18H32O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,17H,3-16H2,(H,20,21)/b2-1- |
| Smiles | C(CCC/C=C\CCCCCCCC(=O)O)CCCC=O |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients