SEQ2FUN

BioLiP

PDB CCD ID: HB0
Number of entries in BioLiP: 6
Chemical formula: C7 H14 O2
InChI: InChI=1S/C7H14O2/c8-5-6-1-3-7(9)4-2-6/h6-9H,1-5H2/t6-,7-
InChIKey: VGRZISGVNOKTQU-LJGSYFOKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1CC(CCC1CO)O
CACTVS 3.370OC[CH]1CC[CH](O)CC1
CACTVS 3.370OC[C@H]1CC[C@H](O)CC1
ACDLabs 12.01OCC1CCC(O)CC1
Name:trans-4-(hydroxymethyl)cyclohexanol
ZINC: ZINC000100309564
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).