ICH
Summary
| Name: | iron-sulfur-molybdenum cluster with interstitial carbon with selenium incorporated |
| Formula: | C Fe7 Mo S6 Se3 |
| Formal charge: | 0 |
| Formula weight: | 928.136 Da |
| Component type: | NON-POLYMER |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C.7Fe.Mo.6S.3Se |
| InChIKey | InChI | 1.03 | WTYUMBSEMHMDAI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | S1[Fe]S[Fe@@]23S[Fe]4[Se][Fe]5S[Fe@@]67S[Mo]S[Fe]([Se]2)[C]3456[Fe]1[Se]7 |
| SMILES | CACTVS | 3.385 | S1[Fe]S[Fe]23S[Fe]4[Se][Fe]5S[Fe]67S[Mo]S[Fe]([Se]2)[C]3456[Fe]1[Se]7 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C12345[Fe]67[S]8[Fe]19[S]1[Fe]8[S]6[Fe]21[Se][Fe]31[S]2[Fe]4([Se]7)[S]3[Fe]5([S]1[Mo]32)[Se]9 |
| SMILES | OpenEye OEToolkits | 1.9.2 | C12345[Fe]67[S]8[Fe]19[S]1[Fe]8[S]6[Fe]21[Se][Fe]31[S]2[Fe]4([Se]7)[S]3[Fe]5([S]1[Mo]32)[Se]9 |
