BioLiP

PDB

BioLiP

PDB CCD ID:

PQV

Number of entries in BioLiP:

Chemical formula:

C10 H19 N3 O2

InChI:

InChI=1S/C10H19N3O2/c14-10(9-12-15)11-5-8-13-6-3-1-2-4-7-13/h9,15H,1-8H2,(H,11,14)/b12-9+

InChIKey:

VIABFASHQHHYNB-FMIVXFBMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1CCCN(CC1)CCNC(=O)C=NO
OpenEye OEToolkits 2.0.7	C1CCCN(CC1)CCNC(=O)/C=N/O
CACTVS 3.385	ON=CC(=O)NCCN1CCCCCC1
CACTVS 3.385	O/N=C/C(=O)NCCN1CCCCCC1
ACDLabs 12.01	C1N(CCCCC1)CCNC(\C=N\O)=O

Name:

(2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide

ZINC:

ZINC000013957020

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).