General Information of the Compound
| Compound ID |
CP0444887
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| Compound Name |
(E)-9-oxohexadec-7-enoic acid
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| Structure |
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| Formula |
C16H28O3
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| Molecular Weight |
268.397
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| Canonical SMILES |
CCCCCCCC(=O)\C=C\CCCCCC(O)=O
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| InChI |
InChI=1S/C16H28O3/c1-2-3-4-6-9-12-15(17)13-10-7-5-8-11-14-16(18)19/h10,13H,2-9,11-12,14H2,1H3,(H,18,19)/b13-10+
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| InChIKey |
HPFYZBFCKCJWJR-JLHYYAGUSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma