53481471 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 4 5 5 5 6 6 6 7 7 7 8 8 9 9 9 10 10 11 11 12 12 12 12 13 13 13 14 14 14 15 15 16 16 17 17 17 17 18 18 18 18 19 20 21 21 22 11 54 23 55 23 5 6 24 25 7 26 27 8 28 29 9 30 31 10 32 33 34 35 11 36 15 39 13 14 37 38 16 40 41 23 42 43 20 45 19 44 19 21 46 47 20 22 48 49 50 51 22 52 53 1 1 1 1 2 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 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 11 1 10 15 39 3 1 8 6 32 10 11 36 1 1 15 11 45 20 18 51 1 1 16 13 44 19 17 50 1 1 21 17 52 22 18 53 1 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 5.4641 3.732 2.866 2.866 2.866 3.732 2 3.732 2 4.5981 5.4641 4.5981 5.4641 4.5981 6.3301 6.3301 7.1962 7.1962 7.1962 7.1962 8.0622 8.0622 3.732 2.654 2.2554 3.0781 3.4766 3.9441 4.3426 1.788 1.3894 3.1951 1.38 2 2.62 4.5981 4.386 3.9875 6.001 5.8626 5.0656 4.8101 5.2087 6.3301 6.3301 6.9841 6.5856 6.5856 6.9841 7.7331 7.7331 8.5991 8.5991 4.9272 3.1951 2.095 -3.905 -2.405 1.595 0.595 2.095 0.095 3.095 -0.905 3.595 3.095 -1.405 -0.905 -2.405 3.595 -1.405 0.095 2.095 -0.905 3.095 0.595 1.595 -2.905 2.1776 1.4873 0.0124 0.7027 1.5124 2.2027 0.6776 -0.0127 3.405 -0.905 -1.525 -0.905 4.215 -0.8224 -1.5127 2.785 -0.4301 -0.4301 -2.9876 -2.2973 -2.025 4.215 0.6776 -0.0127 2.2027 1.5124 -1.215 3.405 0.285 1.905 1.785 -4.215 3 11 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 00000371F0783000000000000000000000000000000000000000000000000000000000000000001A00000800000814A08002020800000200880020D208000000002000000808010000080014120001000050000480000810038800000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,8Z,11Z,14Z)-13-hydroxyicosa-5,8,11,14-tetraenoic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,8Z,11Z,14Z)-13-hydroxyeicosa-5,8,11,14-tetraenoic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (5<I>Z</I>,8<I>Z</I>,11<I>Z</I>,14<I>Z</I>)-13-hydroxyicosa-5,8,11,14-tetraenoic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,8Z,11Z,14Z)-13-hydroxyicosa-5,8,11,14-tetraenoic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,8Z,11Z,14Z)-13-oxidanylicosa-5,8,11,14-tetraenoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,8Z,11Z,14Z)-13-hydroxyeicosa-5,8,11,14-tetraenoic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H32O3/c1-2-3-4-10-13-16-19(21)17-14-11-8-6-5-7-9-12-15-18-20(22)23/h6-9,13-14,16-17,19,21H,2-5,10-12,15,18H2,1H3,(H,22,23)/b8-6-,9-7-,16-13-,17-14- InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 SAKQICHVWOJSNI-BWWNDVLWSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5.2 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 CCCCCC=CC(C=CCC=CCC=CCCCC(=O)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCC/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