General Information of the Compound
| Compound ID |
CP0530792
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| Compound Name |
(6E,9E,12E)-octadeca-6,9,12-trienoic acid
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| Structure |
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| Formula |
C18H30O2
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| Molecular Weight |
278.436
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| Canonical SMILES |
CCCCC\C=C\C\C=C\C\C=C\CCCCC(O)=O
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| InChI |
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6+,10-9+,13-12+
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| InChIKey |
VZCCETWTMQHEPK-YHTMAJSVSA-N
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| CAS |
1686-12-0
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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