(R)-10,16-Dihydroxyhexadecanoic acid
CNP0346467.2 · C16H32O4 · View on COCONUT ↗
Identifiers
| Name | (R)-10,16-Dihydroxyhexadecanoic acid |
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| IUPAC Name | (10~{R})-10,16-dihydroxyhexadecanoic acid |
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| COCONUT ID | CNP0346467.2 |
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| InChIKey | VJZBXAQGWLMYMS-OAHLLOKOSA-N |
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| InChI | InChI=1S/C16H32O4/c17-14-10-6-5-8-12-15(18)11-7-3-1-2-4-9-13-16(19)20/h15,17-18H,1-14H2,(H,19,20)/t15-/m1/s1 |
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| SMILES | O=C(O)CCCCCCCC[C@@H](O)CCCCCCO |
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Properties
| Molecular Formula | C16H32O4 |
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| Molecular Weight | 288.43 |
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| Exact Mass | 288.23006 |
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| Log P (ALogP) | 3.50 |
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| TPSA | 77.76 |
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| H-Bond Donors / Acceptors | 3 / 3 |
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| Rotatable Bonds | 15 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.40 |
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| NP-likeness | 0.96 |
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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 | Hydroxy 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.
