SEQ2FUN

BioLiP

PDB CCD ID: DHM
Number of entries in BioLiP: 4
Chemical formula: C10 H20 O
InChI: InChI=1S/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h5,9,11H,1,6-8H2,2-4H3/t9-/m0/s1
InChIKey: XSNQECSCDATQEL-VIFPVBQESA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		C[C@H](CCCC(C)(C)O)C=C
OpenEye OEToolkits 1.5.0CC(CCCC(C)(C)O)C=C
CACTVS 3.341C[CH](CCCC(C)(C)O)C=C
ACDLabs 10.04OC(C)(C)CCCC(\C=C)C
Name:2,6-DIMETHYL-7-OCTEN-2-OL
ZINC: ZINC000002017308
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).