BioLiP

PDB

BioLiP

PDB CCD ID:

T5L

Number of entries in BioLiP:

Chemical formula:

C8 H12 O4

InChI:

InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6-/m1/s1

InChIKey:

QSAWQNUELGIYBC-PHDIDXHHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)[CH]1CCCC[CH]1C(O)=O
OpenEye OEToolkits 2.0.7	C1CC[C@H]([C@@H](C1)C(=O)O)C(=O)O
CACTVS 3.385	OC(=O)[C@@H]1CCCC[C@H]1C(O)=O
OpenEye OEToolkits 2.0.7	C1CCC(C(C1)C(=O)O)C(=O)O

Name:

(1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid

ZINC:

ZINC000000122702

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).