53951038 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 7 7 7 8 8 9 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 6 42 23 55 23 5 6 24 25 7 26 27 8 28 9 29 30 10 31 32 33 34 12 35 13 14 36 37 16 38 39 15 40 41 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 2 1 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 6 1 8 4 28 2 1 8 6 31 10 12 35 3 1 15 13 45 18 17 49 3 1 16 12 46 20 19 52 3 1 21 17 53 22 19 54 3 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 19.3205 18.4545 4.5981 3.732 5.4641 2.866 6.3301 2 7.1962 16.7224 8.0622 15.8564 17.5885 14.9904 8.9282 13.2583 14.1244 10.6603 9.7942 12.3923 11.5263 18.4545 4.9966 4.1996 3.3335 4.1306 6.001 3.2646 2.4675 6.3301 1.69 1.4631 2.31 7.1962 17.121 16.3239 8.4607 7.6636 15.4579 16.2549 4.9272 17.1899 17.987 14.9904 8.9282 13.6569 12.8598 14.1244 10.2617 11.0588 9.7942 12.3923 11.5263 19.8574 -1.095 -0.095 1.405 0.405 -0.095 -0.095 0.405 0.405 -0.095 -0.095 0.405 0.405 -0.095 -0.095 0.405 -0.095 0.405 -0.095 -0.095 0.405 -0.095 0.405 0.405 0.8799 0.8799 -0.5699 -0.5699 -0.405 0.8799 0.8799 1.025 0.4419 -0.405 -0.6319 -0.715 0.8799 0.8799 0.8799 0.8799 -0.5699 -0.5699 -1.405 -0.5699 -0.5699 1.025 -0.715 0.8799 0.8799 -0.715 -0.5699 -0.5699 1.025 -0.715 1.025 0.215 6 1 1 1 1 6 8 15 16 21 1 10 18 20 22 0 Compound Canonicalized 5 2011.09.13 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 (16R)-16-hydroxyicosa-5,8,11,14-tetraenoic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (16R)-16-hydroxyeicosa-5,8,11,14-tetraenoic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (16<I>R</I>)-16-hydroxyicosa-5,8,11,14-tetraenoic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (16R)-16-hydroxyicosa-5,8,11,14-tetraenoic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (16R)-16-oxidanylicosa-5,8,11,14-tetraenoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (16R)-16-hydroxyeicosa-5,8,11,14-tetraenoic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H32O3/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/t19-/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 JEKNPVYFNMZRJG-LJQANCHMSA-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 CCCCC(C=CCC=CCC=CCC=CCCCC(=O)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCC[C@H](C=CCC=CCC=CCC=CCCCC(=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 1 0 4 0 4 0 1 -1