BioLiP

PDB

BioLiP

PDB CCD ID:

A1CS3

Number of entries in BioLiP:

Chemical formula:

C7 H10 O3

InChI:

InChI=1S/C7H10O3/c1-10-7(9)5-3-2-4-6(5)8/h5H,2-4H2,1H3/t5-/m0/s1

InChIKey:

PZBBESSUKAHBHD-YFKPBYRVSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	O=C1CCCC1C(=O)OC
OpenEye OEToolkits 3.1.0.0	COC(=O)C1CCCC1=O
CACTVS 3.385	COC(=O)[CH]1CCCC1=O
CACTVS 3.385 OpenEye OEToolkits 3.1.0.0	COC(=O)[C@H]1CCCC1=O

Name:

methyl (1S)-2-oxocyclopentane-1-carboxylate

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).