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BioLiP

PDB CCD ID: 80N
Number of entries in BioLiP: 1
Chemical formula: C15 H24 O
InChI: InChI=1S/C15H24O/c1-12-6-5-10-15(3,4)11-9-13(2)14(16)8-7-12/h5,7,9-10,14,16H,6,8,11H2,1-4H3/b10-5+,12-7+,13-9+/t14-/m1/s1
InChIKey: BKFWFEFTVNGGAQ-YKRGQYNGSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC1=CC[CH](O)C(=CCC(C)(C)C=CC1)C
OpenEye OEToolkits 2.0.7CC1=CCC(C(=CCC(C=CC1)(C)C)C)O
CACTVS 3.385C\C1=C/C[C@@H](O)\C(=C\CC(C)(C)/C=C/C1)C
OpenEye OEToolkits 2.0.7C/C/1=C\C[C@H](/C(=C/CC(/C=C/C1)(C)C)/C)O
Name: (1R,2E,6E,9E)-2,5,5,9-tetramethylcycloundeca-2,6,9-trien-1-ol
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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