60060300 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 56 8 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 3 4 5 5 5 5 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 12 12 12 12 13 13 13 14 14 14 14 15 15 16 16 17 17 18 18 18 19 20 20 21 21 22 22 23 8 44 15 55 24 56 24 6 7 25 26 8 27 28 9 29 30 11 31 10 32 33 34 35 36 16 37 13 17 38 39 18 40 41 15 19 42 43 20 45 21 46 19 47 24 48 49 50 22 51 23 52 23 53 54 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 8 1 6 11 31 1 1 15 2 14 20 45 3 1 11 8 37 16 46 21 2 1 17 12 47 19 14 50 1 1 20 15 51 22 53 23 2 1 21 16 52 23 54 22 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 56 13.2583 7.1962 2.866 2 14.9904 14.1244 15.8564 13.2583 16.7224 17.5885 12.3923 4.5981 3.732 6.3301 7.1962 11.5263 4.5981 3.732 5.4641 8.0622 10.6603 8.9282 9.7942 2.866 15.3889 14.5919 13.7258 14.5229 15.4579 16.2549 13.7953 17.121 16.3239 17.2785 18.1254 17.8985 12.3923 5.2087 4.8101 3.1215 3.52 6.7287 5.9316 13.7953 6.6592 11.5263 4.0611 4.3426 3.9441 5.4641 8.0622 10.6603 8.9282 9.7942 6.6592 2.3291 -0.25 -2.75 2.75 1.25 -1.25 -1.75 -1.75 -1.25 -1.25 -1.75 -1.75 -0.25 0.25 -1.25 -1.75 -1.25 -1.25 1.25 -1.75 -1.25 -1.75 -1.75 -1.25 1.75 -0.7751 -0.7751 -2.225 -2.225 -2.225 -2.225 -0.94 -0.7751 -0.7751 -2.2869 -2.06 -1.2131 -2.37 -0.3577 0.3326 0.3577 -0.3326 -0.7751 -0.7751 0.06 -2.06 -0.63 -1.56 1.1423 1.8326 -2.37 -0.63 -2.37 -2.37 -0.63 -3.06 3.06 5 3 8 15 1 2 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 421 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 00000371F0783800000000000000000000000000000000000000000000000000000000000000001A00000800000814A08002020800000200880020D2080000000020000008080100000808141200010000500004C00008900388C0000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,9E,11E,13E,15S)-8,15-dihydroxyicosa-5,9,11,13-tetraenoic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,9E,11E,13E,15S)-8,15-dihydroxyeicosa-5,9,11,13-tetraenoic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (5<I>Z</I>,9<I>E</I>,11<I>E</I>,13<I>E</I>,15<I>S</I>)-8,15-dihydroxyicosa-5,9,11,13-tetraenoic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,9E,11E,13E,15S)-8,15-dihydroxyicosa-5,9,11,13-tetraenoic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,9E,11E,13E,15S)-8,15-bis(oxidanyl)icosa-5,9,11,13-tetraenoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,9E,11E,13E,15S)-8,15-dihydroxyeicosa-5,9,11,13-tetraenoic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H32O4/c1-2-3-8-13-18(21)14-9-4-5-10-15-19(22)16-11-6-7-12-17-20(23)24/h4-6,9-11,14-15,18-19,21-22H,2-3,7-8,12-13,16-17H2,1H3,(H,23,24)/b5-4+,11-6-,14-9+,15-10+/t18-,19?/m0/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 NNPWRKSGORGTIM-SIKOIXALSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 336.23005950 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H32O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 336.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCC(C=CC=CC=CC(CC=CCCCC(=O)O)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCC[C@@H](/C=C/C=C/C=C/C(C/C=C\CCCC(=O)O)O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 77.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 336.23005950 24 2 1 1 4 4 0 0 1 -1