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Ligand ID | EAH |
InChI | InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-14,19,21H,2-5,8,15-18H2,1H3,(H,22,23)/b7-6-,10-9-,12-11+,14-13+/t19-/m1/s1 |
InChIKey | DVGDBDLZYCUGNU-LBIUVHPXSA-N |
SMILES | Software | SMILES |
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CACTVS 3.341 | CCCCC\C=C/C/C=C\C=C\C=C\C[C@@H](O)CCCC(O)=O | ACDLabs 10.04 | O=C(O)CCCC(O)C/C=C/C=C/C=C\C\C=C/CCCCC | CACTVS 3.341 | CCCCCC=CCC=CC=CC=CC[CH](O)CCCC(O)=O | OpenEye OEToolkits 1.5.0 | CCCCCC=CCC=CC=CC=CCC(CCCC(=O)O)O | OpenEye OEToolkits 1.5.0 | CCCCC\C=C/C\C=C/C=C/C=CC[C@H](CCCC(=O)O)O |
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Formula | C20 H32 O3 |
Name | (5S,7E,9E,11Z,14Z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid |
ChEMBL | |
DrugBank | |
ZINC | ZINC000064474589
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PDB chain | 5h9l Chain A Residue 201
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