18-Hydroxyoleic acid
PubChem CID: 5312773
Connections displayed (default: 10).
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| Compound Synonyms | 18-hydroxyoleic acid, (Z)-18-hydroxyoctadec-9-enoic acid, 19-HOME(9Z), 18-hydroxy-9Z-octadecenoic acid, 18-Hydroxy-9(Z)-octadecenoic acid, (9Z)-18-hydroxyoctadec-9-enoic acid, 24753-52-4, 18-Hydroxy-9-octadecenoic acid, omega-hydroxyoleic acid, SCHEMBL320906, CHEBI:79312, (9Z)-18-hydroxyoctadecenoic acid, LMFA02000181, omega-hydroxy-(9Z)-octadecenoic acid, HY-165908, NS00116323, C19616 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 249.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-18-hydroxyoctadec-9-enoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 5.7 |
| Molecular Formula | C18H34O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LQUHZVLTTWMBTO-UPHRSURJSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -3.324 |
| Rotatable Bond Count | 16.0 |
| Logd | 2.363 |
| Compound Name | 18-Hydroxyoleic acid |
| 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 | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.458595399999999 |
| Inchi | InChI=1S/C18H34O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,19H,3-17H2,(H,20,21)/b2-1- |
| Smiles | C(CCCCO)CCC/C=C\CCCCCCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Neapolitanum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Angelica Saxatilis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Cycas Armstrongii (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Cycas Revoluta (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Ephedra Aphylla (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Euphorbia Latazi (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Licaria Armeniaca (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Mammillaria Magnimamma (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Munronia Delavayi (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Plectocephalus Chilensis (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Quercus Suber (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Trichilia Hirta (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Typha Domingensis (Plant) Rel Props:Source_db:cmaup_ingredients