BioLiP

PDB

BioLiP

PDB CCD ID:

QPM

Number of entries in BioLiP:

Chemical formula:

C9 H19 N2 O

InChI:

InChI=1S/C9H19N2O/c1-8(2)5-7(10)6-9(3,4)11(8)12/h7H,5-6,10H2,1-4H3/q-1

InChIKey:

RJXZKBIIOCNSSQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	N1([O-])C(C)(C)CC(CC1(C)C)N
CACTVS 3.385	CC1(C)CC(N)CC(C)(C)N1[O-]
OpenEye OEToolkits 2.0.7	CC1(CC(CC(N1[O-])(C)C)N)C

Name:

4-amino-2,2,6,6-tetramethylpiperidin-1-ol;
4-Amino-TEMPO

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).