BioLiP

PDB

BioLiP

PDB CCD ID:

CCM

Number of entries in BioLiP:

Chemical formula:

C7 H12 O2

InChI:

InChI=1S/C7H12O2/c1-7(6(8)9)4-2-3-5-7/h2-5H2,1H3,(H,8,9)

InChIKey:

MNIBBVOEXUQHFF-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)C1(C)CCCC1
CACTVS 3.341	CC1(CCCC1)C(O)=O
OpenEye OEToolkits 1.5.0	CC1(CCCC1)C(=O)O

Name:

1-METHYL-1-CARBOXY-CYCLOPENTANE

ZINC:

ZINC000005762220

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).