SEQ2FUN

BioLiP

PDB CCD ID: HND
Number of entries in BioLiP: 0
Chemical formula: C9 H20 O2
InChI: InChI=1S/C9H20O2/c1-2-3-4-6-9(11)7-5-8-10/h9-11H,2-8H2,1H3/t9-/m0/s1
InChIKey: BBKPDHOKNRMWQN-VIFPVBQESA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCCC[CH](O)CCCO
ACDLabs 10.04OCCCC(O)CCCCC
OpenEye OEToolkits 1.5.0CCCCCC(CCCO)O
OpenEye OEToolkits 1.5.0CCCCC[C@@H](CCCO)O
CACTVS 3.341CCCCC[C@H](O)CCCO
Name:(4S)-nonane-1,4-diol
ZINC: ZINC000038522806
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).