20846133 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 8 8 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 3 4 4 5 6 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 13 13 13 15 15 15 16 16 16 17 17 18 18 19 19 19 19 20 20 20 21 21 21 22 22 23 24 24 24 8 42 13 53 14 54 25 59 25 7 8 26 27 9 29 30 10 28 11 31 32 12 33 34 15 35 36 14 37 14 16 38 39 40 41 17 43 44 18 45 21 50 20 22 46 47 24 48 49 23 51 52 23 55 58 25 56 57 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 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 8 1 6 10 28 1 1 13 2 14 16 38 3 1 12 10 37 14 13 3 2 1 17 16 45 18 21 50 1 1 22 19 55 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 2.866 6.3301 5.4641 7.1962 8.9282 3.732 2.866 3.732 2.866 4.5981 2 4.5981 6.3301 5.4641 2 7.1962 8.0622 8.9282 8.9282 8.9282 8.9282 9.7942 9.7942 8.0622 8.0622 4.3426 3.9441 3.732 2.2554 2.654 3.4766 3.0781 5.2087 4.8101 1.3894 1.788 4.0611 6.8671 2.62 2 1.38 2.3291 6.7976 7.5947 8.0622 8.7162 8.3176 9.1403 9.5388 9.4651 8.3176 8.7162 6.8671 4.9272 10.3312 7.8501 7.4516 10.3312 7.1962 1.81 1.81 -0.69 -5.69 -5.69 3.31 3.81 2.31 4.81 1.81 5.31 0.81 0.81 0.31 6.31 0.31 0.81 0.31 -2.69 -3.69 -0.69 -2.19 -1.19 -4.19 -5.19 3.2023 3.8926 1.69 3.9177 3.2274 4.7023 5.3926 1.7023 2.3926 5.4177 4.7274 0.5 1.12 6.31 6.93 6.31 2.12 -0.1649 -0.1649 1.43 -2.1074 -2.7977 -4.2726 -3.5823 0.62 -0.5823 -1.2726 2.12 -1 -2.5 -3.6074 -4.2977 -0.88 -6.31 5 3 8 13 1 2 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 426 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 00000371F0783800000000000000000000000000000000000000000000000000000000000000001A00000800000814A08002020800000200880020D2080000000020200008080100000801141200010000500004C00009100388C0800000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,8Z,12E,15S)-11,12,15-trihydroxyicosa-5,8,12-trienoic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,8Z,12E,15S)-11,12,15-trihydroxyeicosa-5,8,12-trienoic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (5<I>Z</I>,8<I>Z</I>,12<I>E</I>,15<I>S</I>)-11,12,15-trihydroxyicosa-5,8,12-trienoic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,8Z,12E,15S)-11,12,15-trihydroxyicosa-5,8,12-trienoic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,8Z,12E,15S)-11,12,15-tris(oxidanyl)icosa-5,8,12-trienoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,8Z,12E,15S)-11,12,15-trihydroxyeicosa-5,8,12-trienoic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H34O5/c1-2-3-9-12-17(21)15-16-19(23)18(22)13-10-7-5-4-6-8-11-14-20(24)25/h4,6-7,10,16-18,21-23H,2-3,5,8-9,11-15H2,1H3,(H,24,25)/b6-4-,10-7-,19-16+/t17-,18?/m0/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 IRCJJQZJEPMMMS-BFONTUJPSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 354.24062418 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H34O5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 354.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCC(CC=C(C(CC=CCC=CCCCC(=O)O)O)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCC[C@@H](C/C=C(\C(C/C=C\C/C=C\CCCC(=O)O)O)/O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 98 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 354.24062418 25 2 1 1 3 3 0 0 1 -1