BioLiP

PDB

BioLiP

PDB CCD ID:

8EZ

Number of entries in BioLiP:

Chemical formula:

C8 H14 O2

InChI:

InChI=1S/C8H14O2/c1-6-4-2-3-5-7(6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/t6-,7+/m0/s1

InChIKey:

VSKXJRZPVDLHFY-NKWVEPMBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[CH]1CCCC[CH]1C(O)=O
OpenEye OEToolkits 2.0.6	CC1CCCCC1C(=O)O
OpenEye OEToolkits 2.0.6	C[C@H]1CCCC[C@H]1C(=O)O
CACTVS 3.385	C[C@H]1CCCC[C@H]1C(O)=O

Name:

(1~{R},2~{S})-2-methylcyclohexane-1-carboxylic acid

ZINC:

ZINC000000389535

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).