MYB
Summary
| Name: | Decarboxylated Myriocin |
| Formula: | C20 H39 N O4 |
| Formal charge: | 0 |
| Formula weight: | 357.528 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (14E,17R,18R,19S)-19-amino-17,18,20-trihydroxyicos-14-en-7-one |
| OpenEye OEToolkits | 1.9.2 | (E,17R,18R,19S)-19-azanyl-17,18,20-tris(oxidanyl)icos-14-en-7-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(CCCCCC)CCCCCC/C=C/CC(O)C(O)C(N)CO |
| InChI | InChI | 1.03 | InChI=1S/C20H39NO4/c1-2-3-4-10-13-17(23)14-11-8-6-5-7-9-12-15-19(24)20(25)18(21)16-22/h9,12,18-20,22,24-25H,2-8,10-11,13-16,21H2,1H3/b12-9+/t18-,19+,20+/m0/s1 |
| InChIKey | InChI | 1.03 | NXVWIVNGDXWOCH-INRCJLNUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCC(=O)CCCCCC\C=C\C[C@@H](O)[C@H](O)[C@@H](N)CO |
| SMILES | CACTVS | 3.385 | CCCCCCC(=O)CCCCCCC=CC[CH](O)[CH](O)[CH](N)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCCCC(=O)CCCCCC/C=C/C[C@H]([C@@H]([C@H](CO)N)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCCCCC(=O)CCCCCCC=CCC(C(C(CO)N)O)O |
