60053064 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 57 58 59 60 61 8 8 8 6 6 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 1 1 1 1 2 2 3 4 4 4 4 5 5 5 6 6 6 7 7 8 8 8 9 9 10 10 10 10 11 11 11 12 13 13 13 14 14 14 15 15 16 16 17 17 17 18 18 19 19 19 19 20 21 21 21 21 22 22 23 24 24 24 7 46 25 61 25 5 6 26 27 7 28 29 8 30 31 9 32 13 33 34 12 35 11 12 36 37 14 38 39 40 41 42 43 15 44 45 16 47 17 48 18 49 50 20 51 20 22 52 53 54 23 24 55 56 23 57 58 25 59 60 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 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 7 1 9 5 32 2 1 9 7 35 12 40 10 2 1 15 14 47 16 17 48 1 1 18 17 51 20 19 54 1 1 22 19 57 23 21 58 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 56 57 58 59 60 61 6.3301 8.0622 8.9282 4.5981 5.4641 3.732 6.3301 2.866 7.1962 8.9282 9.7942 8.0622 2 10.6603 11.5263 12.3923 12.3923 13.2583 12.3923 13.2583 10.6603 12.3923 11.5263 9.7942 8.9282 4.1996 4.9966 5.8626 5.0656 4.1306 3.3335 6.8671 2.4675 3.2646 7.1962 9.3267 8.5297 9.3957 10.1928 8.0622 2.31 1.4631 1.69 11.0588 10.2617 5.7932 11.5263 12.9292 12.1803 11.7817 13.7953 11.7817 12.1803 13.7953 10.2617 11.0588 12.9292 11.5263 10.1928 9.3957 8.0622 -3.155 2.845 1.345 -2.155 -1.655 -1.655 -2.155 -2.155 -1.655 -1.655 -2.155 -2.155 -1.655 -1.655 -2.155 -1.655 -0.655 -0.155 1.345 0.845 2.345 2.345 2.845 2.845 2.345 -2.63 -2.63 -1.18 -1.18 -1.18 -1.18 -2.465 -2.63 -2.63 -1.035 -1.18 -1.18 -2.63 -2.63 -2.775 -1.1181 -1.345 -2.1919 -1.18 -1.18 -3.465 -2.775 -1.965 -0.0724 -0.7627 -0.465 1.4527 0.7624 1.155 1.87 1.87 2.655 3.465 3.32 3.32 3.465 6 7 1 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 419 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 16 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371F0783000000000000000000000000000000000000000000000000000000000000000001A00000800000814A08002020800000200880020D2080000000020000008080100000800141200010000500004800008100380C0000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (4Z,7Z,10Z,15E,17R)-17-hydroxydocosa-4,7,10,15-tetraenoic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (4Z,7Z,10Z,15E,17R)-17-hydroxydocosa-4,7,10,15-tetraenoic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (4<I>Z</I>,7<I>Z</I>,10<I>Z</I>,15<I>E</I>,17<I>R</I>)-17-hydroxydocosa-4,7,10,15-tetraenoic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (4Z,7Z,10Z,15E,17R)-17-hydroxydocosa-4,7,10,15-tetraenoic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (4Z,7Z,10Z,15E,17R)-17-oxidanyldocosa-4,7,10,15-tetraenoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (4Z,7Z,10Z,15E,17R)-17-hydroxydocosa-4,7,10,15-tetraenoic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C22H36O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h5-8,12,14,16,19,21,23H,2-4,9-11,13,15,17-18,20H2,1H3,(H,24,25)/b7-5-,8-6-,14-12-,19-16+/t21-/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 FYCITTHUNGFLBC-OYZTUOATSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 348.26644501 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C22H36O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 348.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCC(C=CCCCC=CCC=CCC=CCCC(=O)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCC[C@H](/C=C/CCC/C=C\C/C=C\C/C=C\CCC(=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 2021.05.07 348.26644501 25 1 1 0 4 4 0 0 1 -1