BioLiP

PDB

BioLiP

PDB CCD ID:

12W

Number of entries in BioLiP:

Chemical formula:

C6 H10 O3

InChI:

InChI=1S/C6H10O3/c7-6(8)9-5-3-1-2-4-5/h5H,1-4H2,(H,7,8)

InChIKey:

AVOZEJJQAGFSRD-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)OC1CCCC1
CACTVS 3.370	OC(=O)OC1CCCC1
OpenEye OEToolkits 1.7.6	C1CCC(C1)OC(=O)O

Name:

cyclopentyl hydrogen carbonate

ZINC:

ZINC000034850006

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).