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BioLiP

PDB CCD ID: V8G
Number of entries in BioLiP: 4
Chemical formula: C11 H20 O2
InChI: InChI=1S/C11H20O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/t9-,10-
InChIKey: BALGERHMIXFENA-MGCOHNPYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C1C(C(=O)O)CCC(C1)CCCC
OpenEye OEToolkits 2.0.7CCCCC1CCC(CC1)C(=O)O
CACTVS 3.385CCCC[CH]1CC[CH](CC1)C(O)=O
CACTVS 3.385CCCC[C@H]1CC[C@@H](CC1)C(O)=O
Name:trans-4-butylcyclohexane-1-carboxylic acid
ZINC: ZINC000103163559
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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