(9Z)-12-hydroxyoctadec-9-enoic acid
PubChem CID: 5282942
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| Compound Synonyms | (Z)-12-hydroxyoctadec-9-enoic acid, (9Z)-12-hydroxyoctadec-9-enoic acid, Riconoleic acid, 12-Hydroxy-9-octadecenoic acid, 9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-, ricinolsaure, Ricinusoleic acid, 9-Octadecenoic acid,12-hydroxy-,(Z)-, NCGC00181322-01, RCl, Flexricin 100, VESPULA PENSYLVANICA B708568K062, 12-Hydroxy-Oleic acid, P -10 acid, 9-Octadecenoic acid,(Z)-, WLN: QV8U2YQ6, SCHEMBL21131, CHEBI:85639, WBHHMMIMDMUBKC-XFXZXTDPSA-, 9-Octadecenoic acid, [R-(Z)]-, NSC281242, AKOS037514820, (9Z)-(12S)-Hydroxyoctadecenoic acid, (9Z)-12-Hydroxy-9-octadecenoic acid, 12-Hydroxy-[R-(Z)]-9-Octadecenoic acid, 12-Hydroxy-(9Z,12R)-9-octadecenoic acid, EN300-37158655, Q27158675, 81212-19-3, InChI=1/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9- |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Description | Occurs in castor oil and other oils e.g. grape and ergot (Claviceps purpurea) Ricinoleic acid (12-hydroxy-9-cis-octadecenoic acid) is an unsaturated omega-9 fatty acid that naturally occurs in mature Castor plant (Ricinus communis L., Euphorbiaceae) seeds or in sclerotium of ergot (Claviceps purpurea Tul., Clavicipitaceae). About 90% of the fatty acid content in castor oil is the triglyceride formed from ricinoleic acid. Ricinoleic acid is manufactured for industries by saponification or fractional distillation of hydrolyzed castor oil. The zinc salt is used in personal care products, such as deodorants. Ricinoleic acid is found in fats and oils, fruits, and corn. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 261.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-12-hydroxyoctadec-9-enoic acid |
| Prediction Hob | 0.0 |
| Class | Fatty Acyls |
| Xlogp | 5.7 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Molecular Formula | C18H34O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WBHHMMIMDMUBKC-XFXZXTDPSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -3.781 |
| Rotatable Bond Count | 15.0 |
| State | Liquid |
| Logd | 2.602 |
| Synonyms | (9Z,12R)-12-hydroxyoctadec-9-enoic acid, (9Z)-(12S)-Hydroxyoctadecenoic acid, (9Z)-12-Hydroxy-9-octadecenoic acid, (9Z)-12-hydroxyoctadec-9-enoic acid, (R)-12-Hydroxy-cis-9-octadecenoic acid, 12-Hydroxy-(9Z,12R)-9-octadecenoic acid, 12-Hydroxy-[R-(Z)]-9-octadecenoic acid, 12-Hydroxy-9-octadecenoic acid, 12-Hydroxy-cis-9-octadecenoic acid, 12-Hydroxy-oleic acid, 12-Hydroxyoleic acid, 9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-, 9-Octadecenoic acid, 12-hydroxy-, (Z)-, 9-Octadecenoic acid, 12-hydroxy-, [R-(Z)]-, D-12-Hydroxyoleic acid, Flexricin 100, L'acide ricinoleique, P -10 acid, RCL, Ricinelaidic acid, Ricinic acid, Ricinoleic acid, Ricinolic acid, Ricinusoleic acid, Riconoleic acid, 12-Hydroxyoleate, Ricinoleate, (9Z)-12-Hydroxyoctadec-9-enoic acid, (9Z,12R)-12-Hydroxyoctadec-9-enoic acid, 12-Hydroxy-9-octadecenic acid, 12-Hydroxyoctadec-cis-9-enoic acid, Ricinoleic acid, (R-(e))-isomer, (9Z)-12-Hydroxyoctadec-9-enoate, 12-D-Hydroxy-9-trans-octadecenoic acid |
| Compound Name | (9Z)-12-hydroxyoctadec-9-enoic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.251 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.251 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 298.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -4.562395399999999 |
| Inchi | InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9- |
| Smiles | CCCCCCC(C/C=C\CCCCCCCC(=O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Long-chain fatty acids |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Cynomorium Songaricum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Patrinia Scabiosifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Patrinia Villosa (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Polygala Sibirica (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Polygala Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Ricinus Communis (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Senna Alexandrina (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all - 14. Outgoing r'ship
FOUND_INto/from Ziziphus Jujuba (Plant) Rel Props:Source_db:cmaup_ingredients