BioLiP

PDB

BioLiP

PDB CCD ID:

A1BDB

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O2

InChI:

InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1

InChIKey:

XJLSEXAGTJCILF-YFKPBYRVSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	O=C(O)C1CCCNC1
OpenEye OEToolkits 3.1.0.0	C1C[C@@H](CNC1)C(=O)O
OpenEye OEToolkits 3.1.0.0	C1CC(CNC1)C(=O)O
CACTVS 3.385	OC(=O)[CH]1CCCNC1
CACTVS 3.385	OC(=O)[C@H]1CCCNC1

Name:

(3S)-piperidine-3-carboxylic acid

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).