BioLiP

PDB

BioLiP

PDB CCD ID:

O78

Number of entries in BioLiP:

Chemical formula:

C7 H9 N O2

InChI:

InChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h4,8H,1-3H2,(H,9,10)/b8-6-

InChIKey:

QYQCRKOROWCYTP-VURMDHGXSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	[H]/N=C\1/CCCC(=C1)C(=O)O
OpenEye OEToolkits 2.0.7	C1CC(=CC(=N)C1)C(=O)O
CACTVS 3.385	OC(=O)C1=CC(=N)CCC1
ACDLabs 12.01	C1C\C(=N)C=C(C1)C(=O)O

Name:

(3Z)-3-iminocyclohex-1-ene-1-carboxylic acid

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).