DJ3
Summary
Name: | 5S-5,6-oxido-7,9-trans-11,14-cis-eicosatetraenoic acid |
Formula: | C20 H30 O3 |
Formal charge: | 0 |
Formula weight: | 318.45 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 4-[(2~{S},3~{S})-3-[(1~{E},3~{E},5~{Z},8~{Z})-tetradeca-1,3,5,8-tetraenyl]oxiran-2-yl]butanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-13,15,18-19H,2-5,8,14,16-17H2,1H3,(H,21,22)/b7-6-,10-9-,12-11+,15-13+/t18-,19-/m0/s1 |
InChIKey | InChI | 1.03 | UFPQIRYSPUYQHK-WAQVJNLQSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCC/C=C\C\C=C/C=C/C=C/[C@@H]1O[C@H]1CCCC(O)=O |
SMILES | CACTVS | 3.385 | CCCCCC=CCC=CC=CC=C[CH]1O[CH]1CCCC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCC/C=C\C/C=C\C=C\C=C\[C@H]1[C@@H](O1)CCCC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCC=CCC=CC=CC=CC1C(O1)CCCC(=O)O |