BioLiP

PDB

BioLiP

PDB CCD ID:

7N0

Number of entries in BioLiP:

Chemical formula:

C7 H10 O3

InChI:

InChI=1S/C7H10O3/c8-6-3-1-2-5(6)4-7(9)10/h5H,1-4H2,(H,9,10)/t5-/m0/s1

InChIKey:

OLLLIBGOZUPLOK-YFKPBYRVSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)C[C@@H]1CCCC1=O
CACTVS 3.385	OC(=O)C[CH]1CCCC1=O
OpenEye OEToolkits 2.0.6	C1CC(C(=O)C1)CC(=O)O
OpenEye OEToolkits 2.0.6	C1C[C@H](C(=O)C1)CC(=O)O

Name:

2-[(1~{S})-2-oxidanylidenecyclopentyl]ethanoic acid

ZINC:

ZINC000000403345

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).