SEQ2FUN

BioLiP

PDB CCD ID: 3OL
Number of entries in BioLiP: 4
Chemical formula: C8 H16 O
InChI: InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/t8-/m0/s1
InChIKey: VSMOENVRRABVKN-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCC[C@H](C=C)O
CACTVS 3.370CCCCC[CH](O)C=C
ACDLabs 12.01OC(/C=C)CCCCC
OpenEye OEToolkits 1.7.6CCCCCC(C=C)O
CACTVS 3.370CCCCC[C@@H](O)C=C
Name:(3R)-oct-1-en-3-ol
ChEMBL: CHEMBL1230177
ZINC: ZINC000001562157
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).