9923199 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 4 5 5 6 6 6 7 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 12 13 14 14 15 15 15 16 16 17 17 17 18 18 18 18 19 19 19 20 20 21 22 22 22 5 45 23 57 23 5 6 24 25 11 26 10 27 28 8 9 29 30 12 31 32 13 33 34 14 35 36 13 37 15 38 39 40 16 41 42 43 44 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 5 1 11 4 26 2 1 11 5 37 13 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 5.4641 8.0622 9.7942 6.3301 5.4641 7.1962 2.866 2.866 3.732 8.0622 4.5981 2 3.732 8.9282 2 9.7942 9.7942 9.7942 9.7942 10.6603 10.6603 8.9282 8.9282 6.7287 5.9316 6.001 6.7976 7.5947 2.654 2.2554 3.0781 3.4766 3.9441 4.3426 8.4607 7.6636 4.5981 1.788 1.3894 3.1951 8.9282 1.38 2 2.62 6.001 10.3312 9.5822 9.1836 9.1836 9.5822 10.4048 10.0063 11.1972 11.1972 8.3176 8.7162 8.0622 -2.56 4.94 4.94 -1.06 -1.56 -1.56 -3.06 -4.06 -2.56 -1.06 -1.06 -4.56 -1.56 -1.56 -5.56 -1.06 -0.06 1.94 2.94 0.44 1.44 3.44 4.44 -0.5851 -0.5851 -1.87 -2.0349 -2.0349 -2.4774 -3.1677 -4.6426 -3.9523 -3.1426 -2.4523 -0.5851 -0.5851 -0.44 -3.9774 -4.6677 -1.25 -2.18 -5.56 -6.18 -5.56 -2.87 -1.37 0.5226 -0.1677 2.0477 1.3574 2.8323 3.5226 0.13 1.75 3.5477 2.8574 5.56 5 5 1 0 Compound Canonicalized 5 2010.01.29 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 00000371F0783000000000000000000000000000000000000000000000000000000000000000001A00000800000814A08002020800000200880020D208000000002000000808010000080014120001000050000480000810038800000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,8Z,13R,14Z)-13-hydroxyicosa-5,8,14-trienoic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,8Z,13R,14Z)-13-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>,13<I>R</I>,14<I>Z</I>)-13-hydroxyicosa-5,8,14-trienoic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,8Z,13R,14Z)-13-hydroxyicosa-5,8,14-trienoic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,8Z,13R,14Z)-13-oxidanylicosa-5,8,14-trienoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,8Z,13R,14Z)-13-hydroxyeicosa-5,8,14-trienoic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H34O3/c1-2-3-4-10-13-16-19(21)17-14-11-8-6-5-7-9-12-15-18-20(22)23/h6-9,13,16,19,21H,2-5,10-12,14-15,17-18H2,1H3,(H,22,23)/b8-6-,9-7-,16-13-/t19-/m0/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HPCRIQHERLZYFB-OCSARAINSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5.3 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=CC(CCCC=CCC=CCCCC(=O)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCC/C=C\[C@@H](CCC/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 1 0 3 3 0 0 1 -1