BioLiP

PDB

BioLiP

PDB CCD ID:

V8G

Number of entries in BioLiP:

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:

Software	SMILES
ACDLabs 12.01	C1C(C(=O)O)CCC(C1)CCCC
OpenEye OEToolkits 2.0.7	CCCCC1CCC(CC1)C(=O)O
CACTVS 3.385	CCCC[CH]1CC[CH](CC1)C(O)=O
CACTVS 3.385	CCCC[C@H]1CC[C@@H](CC1)C(O)=O

Name:

trans-4-butylcyclohexane-1-carboxylic acid

ZINC:

ZINC000103163559

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).