Synonyms: 8-hydroxyeicosatetraenoic acid
Compound class:
Metabolite
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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3
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Hydrogen bond donors
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2
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Rotatable bonds
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14
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Topological polar surface area
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57.53
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Molecular weight
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320.24
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XLogP
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6.22
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No. Lipinski's rules broken
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2
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SMILES / InChI / InChIKey
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Canonical SMILES
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CCCCCC=CCC=CC=CC(CC=CCCCC(=O)O)O
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Isomeric SMILES
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CCCCC/C=C\C/C=C\C=C\[C@H](C/C=C\CCCC(=O)O)O
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InChI
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InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,14-11-,16-13+/t19-/m1/s1
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InChI Key
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NLUNAYAEIJYXRB-VYOQERLCSA-N
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