BioLiP

PDB

BioLiP

PDB CCD ID:

A1AQO

Number of entries in BioLiP:

Chemical formula:

C5 H12 N2 O

InChI:

InChI=1S/C5H12N2O/c6-8-4-5-1-2-7-3-5/h5,7H,1-4,6H2/t5-/m1/s1

InChIKey:

ZTLUVRQAZGGKNA-RXMQYKEDSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NOC[CH]1CCNC1
OpenEye OEToolkits 2.0.7	C1CNCC1CON
ACDLabs 12.01	NOCC1CCNC1
OpenEye OEToolkits 2.0.7	C1CNC[C@@H]1CON
CACTVS 3.385	NOC[C@@H]1CCNC1

Name:

O-{[(3R)-pyrrolidin-3-yl]methyl}hydroxylamine

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).