6449793 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 16 16 17 17 17 17 18 19 19 19 19 20 21 21 22 4 35 23 55 23 5 6 24 7 25 26 8 27 28 9 29 30 31 32 33 10 34 13 36 12 14 37 38 15 39 40 16 41 42 23 43 44 18 45 20 46 18 21 47 48 49 20 22 50 51 52 22 53 54 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 4 1 5 6 24 3 1 9 7 34 10 36 13 2 1 15 12 45 18 49 17 2 1 16 13 46 20 52 19 2 1 21 17 53 22 54 19 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 2.5369 18.9914 18.1254 3.403 4.269 3.403 5.135 2.5369 6.001 6.8671 16.3933 15.5273 7.7331 17.2594 14.6613 8.5991 12.9292 13.7953 10.3312 9.4651 12.0632 11.1972 18.1254 3.403 4.6675 3.8705 3.615 4.0135 4.7365 5.5335 2.2269 2 2.8469 6.001 2 6.8671 16.7919 15.9948 15.1288 15.9258 8.1316 7.3346 16.8608 17.6579 14.6613 8.5991 13.3278 12.5307 13.7953 9.9326 10.7297 9.4651 12.0632 11.1972 19.5284 0.5 -0 1.5 0 0.5 -1 0 -1.5 0.5 0 0.5 -0 0.5 -0 0.5 0 0.5 -0 0 0.5 -0 0.5 0.5 0.62 0.9749 0.9749 -1.5826 -0.8923 -0.4749 -0.4749 -0.9631 -1.81 -2.0369 1.12 0.19 -0.62 0.9749 0.9749 -0.4749 -0.4749 0.9749 0.9749 -0.4749 -0.4749 1.12 -0.62 0.9749 0.9749 -0.62 -0.4749 -0.4749 1.12 -0.62 1.12 0.31 3 4 1 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 392 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 14 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371F0783000000000000000000000000000000000000000000000000000000000000000001A00000800000814A08002020800000200880020D208000000002000000808010000080010120001000040000480000800038800000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E,8E,11E,14E)-18-hydroxyicosa-5,8,11,14-tetraenoic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E,8E,11E,14E)-18-hydroxyeicosa-5,8,11,14-tetraenoic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (5<I>E</I>,8<I>E</I>,11<I>E</I>,14<I>E</I>)-18-hydroxyicosa-5,8,11,14-tetraenoic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E,8E,11E,14E)-18-hydroxyicosa-5,8,11,14-tetraenoic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E,8E,11E,14E)-18-oxidanylicosa-5,8,11,14-tetraenoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E,8E,11E,14E)-18-hydroxyeicosa-5,8,11,14-tetraenoic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H32O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,19,21H,2-3,8-9,14-18H2,1H3,(H,22,23)/b6-4+,7-5+,12-10+,13-11+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PPCHNRUZQWLEMF-DLMKAYHGSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 320.23514488 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H32O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 320.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCC(CCC=CCC=CCC=CCC=CCCCC(=O)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCC(CC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 57.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 320.23514488 23 1 0 1 4 4 0 0 1 -1