60060296 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 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 1 1 2 2 3 4 4 4 5 5 5 6 6 6 7 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 13 13 13 14 14 15 15 15 16 16 17 17 17 18 18 18 18 19 19 19 20 20 21 22 22 22 4 42 23 57 23 5 6 24 10 25 26 11 27 28 8 9 29 30 13 31 32 12 33 34 14 35 36 12 37 40 15 38 39 16 41 43 44 45 17 46 20 47 48 19 21 49 50 22 51 52 21 53 54 23 55 56 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 1 1 2 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 4 1 5 6 24 3 1 11 6 37 12 9 40 1 1 14 10 41 16 17 46 1 1 20 17 53 21 18 54 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 6.3301 8.0622 9.7942 6.3301 7.1962 5.4641 2.866 2.866 3.732 8.0622 4.5981 3.732 2 8.9282 2 9.7942 9.7942 9.7942 9.7942 10.6603 10.6603 8.9282 8.9282 6.8671 7.5947 6.7976 5.8626 5.0656 2.2554 2.654 3.4766 3.0781 4.3426 3.9441 7.6636 8.4607 4.5981 1.3894 1.788 3.1951 8.9282 5.7932 2.62 2 1.38 10.3312 9.1836 9.5822 9.5822 9.1836 10.0063 10.4048 11.1972 11.1972 8.7162 8.3176 8.0622 0.06 -4.94 -4.94 1.06 1.56 1.56 3.06 4.06 2.56 1.06 1.06 1.56 4.56 1.56 5.56 1.06 0.06 -1.94 -2.94 -0.44 -1.44 -3.44 -4.44 0.75 2.0349 2.0349 2.0349 2.0349 3.1677 2.4774 3.9523 4.6426 2.4523 3.1426 0.5851 0.5851 0.44 4.6677 3.9774 1.25 2.18 -0.25 5.56 6.18 5.56 1.37 0.1677 -0.5226 -1.3574 -2.0477 -3.5226 -2.8323 -0.13 -1.75 -2.8574 -3.5477 -5.56 3 4 1 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 356 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 15 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371F0783000000000000000000000000000000000000000000000000000000000000000001A00000800000814A08002020800000200880020D2080000000020000008080100000800101200010000400004C0000800038800000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,8Z,14Z)-12-hydroxyicosa-5,8,14-trienoic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,8Z,14Z)-12-hydroxyeicosa-5,8,14-trienoic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (5<I>Z</I>,8<I>Z</I>,14<I>Z</I>)-12-hydroxyicosa-5,8,14-trienoic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,8Z,14Z)-12-hydroxyicosa-5,8,14-trienoic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,8Z,14Z)-12-oxidanylicosa-5,8,14-trienoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,8Z,14Z)-12-hydroxyeicosa-5,8,14-trienoic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H34O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13,19,21H,2-6,12,14-18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10- InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 RFAKHEWADWLSJX-METGYZFWSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 322.25079494 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H34O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 322.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCC=CCC(CCC=CCC=CCCCC(=O)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCC/C=C\CC(CC/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 2021.05.07 322.25079494 23 1 0 1 3 3 0 0 1 -1