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FURNA

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:
  • Chengxin Zhang, P. Lydia Freddolino (2023) FURNA: a database for function annotations of RNA structures, bioRxiv 2023.12.19.572314.
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