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BioLiP

PDB CCD ID: 11Z
Number of entries in BioLiP: 5
Chemical formula: C17 H32 O2
InChI: InChI=1S/C17H32O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h16H,1-15H2,(H,18,19)
InChIKey: WFTPSUGFEZHCGU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)CCCCCCCCCCC1CCCCC1
CACTVS 3.385OC(=O)CCCCCCCCCCC1CCCCC1
OpenEye OEToolkits 1.7.6C1CCC(CC1)CCCCCCCCCCC(=O)O
Name:11-cyclohexylundecanoic acid
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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