BioLiP

PDB

BioLiP

PDB CCD ID:

EKA

Number of entries in BioLiP:

Chemical formula:

C8 H13 N O4

InChI:

InChI=1S/C8H13NO4/c10-7(8(11)12)9(13)6-4-2-1-3-5-6/h6,13H,1-5H2,(H,11,12)

InChIKey:

HMDGECZILRJLEV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	ON(C1CCCCC1)C(=O)C(O)=O
ACDLabs 12.01	C(C(N(C1CCCCC1)O)=O)(O)=O
OpenEye OEToolkits 2.0.6	C1CCC(CC1)N(C(=O)C(=O)O)O

Name:

[cyclohexyl(hydroxy)amino](oxo)acetic acid

ChEMBL:

CHEMBL4778109

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).