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BioLiP

PDB CCD ID: 64Z
Number of entries in BioLiP: 19
Chemical formula: C10 H18 O
InChI: InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+
InChIKey: GLZPCOQZEFWAFX-JXMROGBWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4CC(=CCC/C(=C/CO)/C)C
CACTVS 3.385CC(C)=CCCC(C)=CCO
ACDLabs 12.01C(=C/CC\C(=C\CO)C)(\C)C
OpenEye OEToolkits 2.0.4CC(=CCCC(=CCO)C)C
CACTVS 3.385CC(C)=CCC\C(C)=C\CO
Name:Geraniol
ChEMBL: CHEMBL25719
DrugBank: DB14183
ZINC: ZINC000001529210
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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