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BioLiP

PDB CCD ID: FOF
Number of entries in BioLiP: 7
Chemical formula: C15 H26 O
InChI: InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
InChIKey: CRDAMVZIKSXKFV-YFVJMOTDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=CCCC(=CCCC(=CCO)C)C)C
CACTVS 3.385CC(C)=CCCC(C)=CCCC(C)=CCO
CACTVS 3.385CC(C)=CCC\C(C)=C\CC/C(C)=C/CO
ACDLabs 12.01C\C(=C\CC\C(=C\CCC(C)=[C@H]CO)C)C
OpenEye OEToolkits 2.0.7CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C
Name:(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol;
trans,trans-Farnesol
ChEMBL: CHEMBL25308
ZINC: ZINC000001532860
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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