BioLiP

PDB

BioLiP

PDB CCD ID:

QVQ

Number of entries in BioLiP:

Chemical formula:

C8 H10 O5

InChI:

InChI=1S/C8H10O5/c9-6(8(12)13)4-1-2-5(3-4)7(10)11/h4-5H,1-3H2,(H,10,11)(H,12,13)/t4-,5+/m0/s1

InChIKey:

BFOGQMGXPDGPQE-CRCLSJGQSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)[CH]1CC[CH](C1)C(=O)C(O)=O
OpenEye OEToolkits 2.0.7	C1CC(CC1C(=O)C(=O)O)C(=O)O
OpenEye OEToolkits 2.0.7	C1C[C@H](C[C@H]1C(=O)C(=O)O)C(=O)O
CACTVS 3.385	OC(=O)[C@@H]1CC[C@@H](C1)C(=O)C(O)=O

Name:

3-(carboxycarbonyl)cyclopentane-1-carboxylic acid;
(1~{R},3~{S})-3-(carboxycarbonyl)cyclopentane-1-carboxylic acid

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).