| PDB CCD ID: | BTN |
| Number of entries in FURNA: | 3 |
| Chemical formula: | C10 H16 N2 O3 S |
| InChI: | InChI=1S/C10H16N2O3S/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: | YBJHBAHKTGYVGT-ZKWXMUAHSA-N |
| SMILES: | OC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12; OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12; O=C1NC2C(SCC2N1)CCCCC(=O)O; C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2; C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2 |
| Name: | BIOTIN |
| ChEMBL: | CHEMBL857 |
| DrugBank: | DB00121 |
| ZINC: | ZINC000035024346 |
Reference: