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BioLiP

PDB CCD ID: ODM
Number of entries in BioLiP: 3
Chemical formula: C10 H20 O
InChI: InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1
InChIKey: QMVPMAAFGQKVCJ-SNVBAGLBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@H](CCC=C(C)C)CCO
ACDLabs 12.01C/C(C)=C/CCC(C)CCO
CACTVS 3.385C[CH](CCO)CCC=C(C)C
CACTVS 3.385C[C@@H](CCO)CCC=C(C)C
OpenEye OEToolkits 2.0.7CC(CCC=C(C)C)CCO
Name:(3R)-3,7-dimethyloct-6-en-1-ol;
citronellol
ChEMBL: CHEMBL1907993
ZINC: ZINC000001531601
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).
  • 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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