Synonyms: 18S-hydroxyeicosapentaenoate
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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13
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Topological polar surface area
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57.53
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Molecular weight
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318.22
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XLogP
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6.09
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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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CCC(C=CC=CCC=CCC=CCC=CCCCC(=O)O)O
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Isomeric SMILES
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CC[C@@H](/C=C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)O
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InChI
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InChI=1S/C20H30O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,15,17,19,21H,2-3,8-9,14,16,18H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-,13-11-,17-15+/t19-/m0/s1
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InChI Key
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LRWYBGFSVUBWMO-OKIFYYRFSA-N
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