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BioLiP

PDB CCD ID: GER
Number of entries in BioLiP: 39
Chemical formula: C20 H34
InChI: InChI=1S/C20H34/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,11,14-15H,8-10,12-13,16H2,1-6H3/b18-7+,19-15+,20-14+
InChIKey: HSOYJGBJQAKCNA-CAIKYXSQSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04C(=C/CCC(=C/C)/C)(\CC/C=C(/CC/C=C(\C)C)C)C
OpenEye OEToolkits 1.5.0C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
CACTVS 3.341C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C
Name:GERAN-8-YL GERAN
ZINC: ZINC000014880577
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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