BioLiP

PDB

BioLiP

PDB CCD ID:

C54

Number of entries in BioLiP:

Chemical formula:

C6 H8 O2

InChI:

InChI=1S/C6H8O2/c7-6(8)5-3-1-2-4-5/h1,3,5H,2,4H2,(H,7,8)/t5-/m0/s1

InChIKey:

MOMBAXHNIPLMSI-YFKPBYRVSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)[CH]1CCC=C1
CACTVS 3.385	OC(=O)[C@@H]1CCC=C1
OpenEye OEToolkits 1.9.2	C1C[C@H](C=C1)C(=O)O
OpenEye OEToolkits 1.9.2	C1CC(C=C1)C(=O)O
ACDLabs 12.01	O=C(O)C1C=CCC1

Name:

(1R)-cyclopent-2-ene-1-carboxylic acid

ZINC:

ZINC000013429760

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).