53848655 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 8 8 9 9 9 10 10 11 11 12 13 13 13 14 14 15 15 15 15 16 16 16 17 17 18 18 18 19 19 20 20 21 21 22 11 47 23 55 23 5 6 24 25 7 26 27 10 28 29 13 30 31 9 11 32 33 12 34 35 12 36 14 37 38 39 40 41 17 42 16 18 43 44 19 45 46 20 50 23 48 49 21 51 22 52 22 53 54 1 1 1 1 2 1 1 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 11 1 8 14 37 1 1 10 6 36 12 9 38 3 1 14 11 42 17 20 50 3 1 19 16 51 21 22 53 3 1 20 17 52 22 21 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 9.7942 19.3205 18.4545 4.5981 3.732 5.4641 2.866 8.9282 8.0622 6.3301 9.7942 7.1962 2 10.6603 16.7224 15.8564 11.5263 17.5885 14.9904 12.3923 14.1244 13.2583 18.4545 4.1996 4.9966 4.1306 3.3335 5.8626 5.0656 2.4675 3.2646 9.3267 8.5297 7.6636 8.4607 6.3301 9.2573 7.1962 2.31 1.4631 1.69 10.6603 16.3239 17.121 16.2549 15.4579 9.2573 17.987 17.1899 11.5263 14.9904 12.3923 14.1244 13.2583 19.8574 -0.595 0.905 -0.595 0.405 0.905 0.905 0.405 0.905 0.405 0.405 0.405 0.905 0.905 0.905 0.405 0.905 0.405 0.905 0.405 0.905 0.905 0.405 0.405 -0.0699 -0.0699 1.38 1.38 1.38 1.38 -0.0699 -0.0699 1.38 1.38 -0.0699 -0.0699 -0.215 0.095 1.525 1.4419 1.215 0.3681 1.525 -0.0699 -0.0699 1.38 1.38 -0.905 1.38 1.38 -0.215 -0.215 1.525 1.525 -0.215 0.595 1 5 1 1 1 10 11 14 19 20 12 1 17 21 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 00000371F0783000000000000000000000000000000000000000000000000000000000000000001A00000800000814A08002020800000200880020D208000000002000000808010000080814120001000050000480000890038800000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (11S)-11-hydroxyicosa-5,7,9,14-tetraenoic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (11S)-11-hydroxyeicosa-5,7,9,14-tetraenoic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (11<I>S</I>)-11-hydroxyicosa-5,7,9,14-tetraenoic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (11S)-11-hydroxyicosa-5,7,9,14-tetraenoic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (11S)-11-oxidanylicosa-5,7,9,14-tetraenoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (11S)-11-hydroxyeicosa-5,7,9,14-tetraenoic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H32O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h6-11,14,17,19,21H,2-5,12-13,15-16,18H2,1H3,(H,22,23)/t19-/m0/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GOERIQVFVRGONS-IBGZPJMESA-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=CCCC(C=CC=CC=CCCCC(=O)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCC=CCC[C@@H](C=CC=CC=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