cis-12-Octadecenoic acid
PubChem CID: 446285
Connections displayed (default: 10).
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| Compound Synonyms | cis-12-Octadecenoic acid, 13126-37-9, (Z)-12-Octadecenoic acid, 12-Octadecenoic acid, (12Z)-, cis-12-oleic acid, 12Z-octadecenoic acid, (Z)-octadec-12-enoic acid, 12-Octadecenoic acid, (Z)-, G18P32P8GW, CHEMBL1917278, UNII-G18P32P8GW, 4lkt, cis-12-Octadecenoicacid, (12Z)-12-octadecenoic acid, SCHEMBL2734188, CHEBI:196198, OXEDXHIBHVMDST-SREVYHEPSA-N, 12-OCTADECENOIC ACID, CIS-, BDBM50357387, LMFA01030078, .DELTA.12-CIS-OCTADECENOIC ACID, Q27278571 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 234.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P51452, P35236 |
| Iupac Name | (Z)-octadec-12-enoic acid |
| Prediction Hob | 0.0 |
| Target Id | NPT1211 |
| Xlogp | 6.5 |
| Molecular Formula | C18H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OXEDXHIBHVMDST-SREVYHEPSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -3.308 |
| Rotatable Bond Count | 15.0 |
| Logd | 3.447 |
| Compound Name | cis-12-Octadecenoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 282.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.4145015999999995 |
| Inchi | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7H,2-5,8-17H2,1H3,(H,19,20)/b7-6- |
| Smiles | CCCCC/C=C\CCCCCCCCCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hansenia Forbesii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Lycium Barbarum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Ostericum Grosseserratum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all