| PDB CCD ID: | BYY |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C10 H16 N2 O3 Se |
| InChI: | InChI=1S/C10H16N2O3Se/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1 |
| InChIKey: | HVUDXAKXEONARI-ZKWXMUAHSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C1NC2C(N1)C([Se]C2)CCCCC(O)=O | | CACTVS 3.385 | OC(=O)CCCC[C@@H]1[Se]C[C@@H]2NC(=O)N[C@H]12 | | OpenEye OEToolkits 2.0.4 | C1C2C(C([Se]1)CCCCC(=O)O)NC(=O)N2 | | OpenEye OEToolkits 2.0.4 | C1[C@H]2[C@@H]([C@@H]([Se]1)CCCCC(=O)O)NC(=O)N2 | | CACTVS 3.385 | OC(=O)CCCC[CH]1[Se]C[CH]2NC(=O)N[CH]12 |
|
| Name: | 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-selenopheno[3,4-d]imidazol-4-yl]pentanoic acid;
selenobiotin |
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