SEQ2FUN

BioLiP

PDB CCD ID: HX2
Number of entries in BioLiP: 20
Chemical formula: C6 H14 O2
InChI: InChI=1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKey: OHMBHFSEKCCCBW-PHDIDXHHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C[C@H](CC[C@@H](C)O)O
CACTVS 3.370C[C@@H](O)CC[C@@H](C)O
ACDLabs 12.01OC(C)CCC(O)C
OpenEye OEToolkits 1.7.0CC(CCC(C)O)O
CACTVS 3.370C[CH](O)CC[CH](C)O
Name:(2R,5R)-hexane-2,5-diol
ZINC: ZINC000000388716
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).