14-Pentadecenoic acid
CNP0603181.0 · C15H28O2 · View on COCONUT ↗
Identifiers
| Name | 14-Pentadecenoic acid |
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| IUPAC Name | pentadec-14-enoic acid |
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| COCONUT ID | CNP0603181.0 |
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| CAS | 17351-34-7 |
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| InChIKey | CAHZYAQCDBBLER-UHFFFAOYSA-N |
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| InChI | InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2H,1,3-14H2,(H,16,17) |
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| SMILES | C=CCCCCCCCCCCCCC(=O)O |
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Properties
| Molecular Formula | C15H28O2 |
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| Molecular Weight | 240.39 |
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| Exact Mass | 240.20893 |
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| Log P (ALogP) | 4.94 |
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| TPSA | 37.30 |
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| H-Bond Donors / Acceptors | 1 / 1 |
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| Rotatable Bonds | 13 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.37 |
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| NP-likeness | 0.79 |
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Classification
| NP Pathway | Fatty acids |
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| NP Superclass | Fatty Acids and Conjugates |
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| NP Class | Unsaturated fatty acids |
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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.
