5283210 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 7 7 8 8 8 9 9 10 10 10 10 11 11 11 12 12 13 13 13 14 15 15 16 16 16 17 17 18 18 18 19 19 19 20 20 20 20 21 21 21 22 22 23 24 24 24 6 42 7 43 9 45 25 59 25 7 8 26 9 27 12 28 29 15 30 11 13 31 32 14 33 34 14 35 16 36 37 38 17 39 19 40 41 18 44 22 46 47 48 49 50 21 23 51 52 24 53 54 23 55 56 25 57 58 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 2 1 1 1 1 1 2 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 6 1 7 8 26 1 1 7 2 6 9 27 1 1 9 3 7 15 30 3 1 12 8 35 14 11 38 1 1 15 9 39 17 18 44 1 1 22 18 55 23 20 56 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 6.3301 7.1962 8.0622 8.0622 9.7942 6.3301 7.1962 5.4641 8.0622 2.866 3.732 4.5981 2.866 3.732 8.9282 2 9.7942 9.7942 2 9.7942 9.7942 10.6603 10.6603 8.9282 8.9282 6.8671 6.6592 5.0656 5.8626 7.5252 2.654 2.2554 3.9441 4.3426 4.5981 3.0781 3.4766 3.1951 8.9282 1.788 1.3894 5.7932 6.6592 10.3312 8.5991 9.5822 9.1836 1.38 2 2.62 9.1836 9.5822 10.4048 10.0063 11.1972 11.1972 8.3176 8.7162 8.0622 -0.06 -2.56 -0.06 4.94 4.94 -1.06 -1.56 -1.56 -1.06 -3.06 -2.56 -1.06 -4.06 -1.56 -1.56 -4.56 -1.06 -0.06 -5.56 1.94 2.94 0.44 1.44 3.44 4.44 -0.75 -1.87 -2.0349 -2.0349 -0.75 -2.4774 -3.1677 -3.1426 -2.4523 -0.44 -4.6426 -3.9523 -1.25 -2.18 -3.9774 -4.6677 0.25 -2.87 -1.37 0.25 0.5226 -0.1677 -5.56 -6.18 -5.56 2.0477 1.3574 2.8323 3.5226 0.13 1.75 3.5477 2.8574 5.56 5 5 3 6 7 9 1 2 3 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 414 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 00000371F0783800000000000000000000000000000000000000000000000000000000000000001A00000800000814A08002020800000200880020D2080000000020000008080100000801141200010000500005C0000910038800000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,8Z,11S,12R,14Z)-10,11,12-trihydroxyicosa-5,8,14-trienoic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,8Z,11S,12R,14Z)-10,11,12-trihydroxyeicosa-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>,11<I>S</I>,12<I>R</I>,14<I>Z</I>)-10,11,12-trihydroxyicosa-5,8,14-trienoic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,8Z,11S,12R,14Z)-10,11,12-trihydroxyicosa-5,8,14-trienoic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,8Z,11S,12R,14Z)-10,11,12-tris(oxidanyl)icosa-5,8,14-trienoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,8Z,11S,12R,14Z)-10,11,12-trihydroxyeicosa-5,8,14-trienoic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H34O5/c1-2-3-4-5-8-11-14-17(21)20(25)18(22)15-12-9-6-7-10-13-16-19(23)24/h6-8,11-12,15,17-18,20-22,25H,2-5,9-10,13-14,16H2,1H3,(H,23,24)/b7-6-,11-8-,15-12-/t17-,18?,20+/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GOHNIXDAQODZKP-OZPSOFALSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.3 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=CCC(C(C(C=CCC=CCCCC(=O)O)O)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCC/C=C\C[C@H]([C@@H](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 3 2 1 3 3 0 0 1 -1