SEQ2FUN

BioLiP

PDB CCD ID: 3OM
Number of entries in BioLiP: 1
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-/m1/s1
InChIKey: VSMOENVRRABVKN-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCC[C@@H](C=C)O
CACTVS 3.385CCCCC[CH](O)C=C
ACDLabs 12.01OC(/C=C)CCCCC
CACTVS 3.385CCCCC[C@H](O)C=C
OpenEye OEToolkits 1.7.6CCCCCC(C=C)O
Name:(3S)-1-octen-3-ol
DrugBank: DB03025
ZINC: ZINC000002026960
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).