BioLiP

PDB

BioLiP

PDB CCD ID:

IXO

Number of entries in BioLiP:

Chemical formula:

C10 H17 N2 O2

InChI:

InChI=1S/C10H17N2O2/c1-12(2,3)7-4-5-8-13-10-6-9-14-11-10/h6-9H2,1-3H3/q+1

InChIKey:

WXXOCGISBCTWPW-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C(#CCOC1=NOCC1)C[N+](C)(C)C
CACTVS 3.385 OpenEye OEToolkits 1.7.6	C[N+](C)(C)CC#CCOC1=NOCC1

Name:

4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium;
Iperoxo

ChEMBL:

CHEMBL3121473

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).