CER
Summary
| Name: | (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE |
| Synonyms: | CERULENIN |
| Formula: | C12 H19 N O3 |
| Formal charge: | 0 |
| Formula weight: | 225.284 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3S,7E,10E)-3-hydroxy-4-oxododeca-7,10-dienamide |
| OpenEye OEToolkits | 1.5.0 | (3S,7E,10E)-3-hydroxy-4-oxo-dodeca-7,10-dienamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N)CC(O)C(=O)CC/C=C/C/C=C/C |
| SMILES_CANONICAL | CACTVS | 3.341 | C/C=C/C/C=C/CCC(=O)[C@@H](O)CC(N)=O |
| SMILES | CACTVS | 3.341 | CC=CCC=CCCC(=O)[CH](O)CC(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C\C=C\C\C=C\CCC(=O)[C@H](CC(=O)N)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC=CCC=CCCC(=O)C(CC(=O)N)O |
| InChI | InChI | 1.03 | InChI=1S/C12H19NO3/c1-2-3-4-5-6-7-8-10(14)11(15)9-12(13)16/h2-3,5-6,11,15H,4,7-9H2,1H3,(H2,13,16)/b3-2+,6-5+/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | QEPYZBPOTYDXNA-FECJWDPASA-N |
