10(S)-Hydroxyoctadecanoic acid
CNP0323031.1 · C18H36O3 · View on COCONUT ↗
Identifiers
| Name | 10(S)-Hydroxyoctadecanoic acid |
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| IUPAC Name | (10~{S})-10-hydroxyoctadecanoic acid |
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| COCONUT ID | CNP0323031.1 |
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| CAS | 67042-09-5 |
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| InChIKey | PAZZVPKITDJCPV-KRWDZBQOSA-N |
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| InChI | InChI=1S/C18H36O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m0/s1 |
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| SMILES | CCCCCCCC[C@H](O)CCCCCCCCC(=O)O |
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Properties
| Molecular Formula | C18H36O3 |
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| Molecular Weight | 300.48 |
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| Exact Mass | 300.26645 |
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| Log P (ALogP) | 5.30 |
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| TPSA | 57.53 |
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| H-Bond Donors / Acceptors | 2 / 2 |
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| Rotatable Bonds | 16 |
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| Lipinski's Rule of 5 Violations | 1 |
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| QED Drug-likeness | 0.38 |
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| NP-likeness | 0.78 |
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Classification
| NP Pathway | Fatty acids |
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| NP Superclass | Octadecanoids |
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| NP Class | Other Octadecanoids |
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| Chemical Superclass | Lipids and lipid-like molecules |
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| Chemical Class | Fatty Acyls |
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| Chemical Subclass | Fatty acids and conjugates |
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Reported in GR-MAPs Plants
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.
