SEQ2FUN

BioLiP

PDB CCD ID: TBF
Number of entries in BioLiP: 2
Chemical formula: C5 H10 O2
InChI: InChI=1S/C5H10O2/c1-5(2,3)7-4-6/h4H,1-3H3
InChIKey: RUPAXCPQAAOIPB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=COC(C)(C)C
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC(C)(C)OC=O
Name:TERT-BUTYL FORMATE;
TERTIARY BUTOXY CARBONYL
ChEMBL: CHEMBL1236200
DrugBank: DB02768
ZINC: ZINC000004521135
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).