11O
Summary
| Name: | (TRANS-12,13-EPOXY)-11-HYDROXY-9(Z)-OCTADECENOIC ACID |
| Formula: | C18 H32 O4 |
| Formal charge: | 0 |
| Formula weight: | 312.444 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (9Z,11S)-11-hydroxy-11-[(2R,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid |
| OpenEye OEToolkits | 1.5.0 | (Z,11S)-11-hydroxy-11-[(2R,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCCCCCC/C=C\C(O)C1OC1CCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCC[C@H]1O[C@@H]1[C@@H](O)\C=C/CCCCCCCC(O)=O |
| SMILES | CACTVS | 3.341 | CCCCC[CH]1O[CH]1[CH](O)C=CCCCCCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCC[C@@H]1[C@H](O1)[C@H](\C=C/CCCCCCCC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCC1C(O1)C(C=CCCCCCCCC(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C18H32O4/c1-2-3-9-13-16-18(22-16)15(19)12-10-7-5-4-6-8-11-14-17(20)21/h10,12,15-16,18-19H,2-9,11,13-14H2,1H3,(H,20,21)/b12-10-/t15-,16+,18+/m0/s1 |
| InChIKey | InChI | 1.03 | UZCLYICSWADYGM-RXWDXHPSSA-N |
