SEQ2FUN

BioLiP

PDB CCD ID: 217
Number of entries in BioLiP: 2
Chemical formula: C6 H12 O2
InChI: InChI=1S/C6H12O2/c1-2-3-4-6(8)5-7/h2,6-8H,1,3-5H2/t6-/m0/s1
InChIKey: WGTGQGJDNAGBCC-LURJTMIESA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04OCC(O)CC\C=C
OpenEye OEToolkits 1.5.0C=CCC[C@@H](CO)O
CACTVS 3.341OC[C@@H](O)CCC=C
OpenEye OEToolkits 1.5.0C=CCCC(CO)O
CACTVS 3.341OC[CH](O)CCC=C
Name:(2S)-HEX-5-ENE-1,2-DIOL
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).