87Q
Summary
| Name: | Z-7-[(1R,2R,3R,5S)-2-[(E,3S)-3-methyl-3-oxidanyl-oct-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid |
| Synonyms: | 7-[3,5-Dihydroxy-2-(3-hydroxy-3-methyloct-1-enyl)cyclopentyl]hept-5-enoic acid |
| Formula: | C21 H36 O5 |
| Formal charge: | 0 |
| Formula weight: | 368.508 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E},3~{S})-3-methyl-3-oxidanyl-oct-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,19-,21+/m1/s1 |
| InChIKey | InChI | 1.06 | DLJKPYFALUEJCK-IIELGFQLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCC[C@](C)(O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O |
| SMILES | CACTVS | 3.385 | CCCCC[C](C)(O)C=C[CH]1[CH](O)C[CH](O)[CH]1CC=CCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCC[C@@](C)(/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCC(C)(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O |
