SEQ2FUN

BioLiP

PDB CCD ID: 7NX
Number of entries in BioLiP: 0
Chemical formula: C8 H14 O3
InChI: InChI=1S/C8H14O3/c9-8(10)11-6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)
InChIKey: GPTIZNPODRMHFN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C1CCC(CC1)COC(=O)O
CACTVS 3.385OC(=O)OCC1CCCCC1
Name:cyclohexylmethyl hydrogen carbonate
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).