BioLiP

PDB

BioLiP

PDB CCD ID:

SJ5

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O4

InChI:

InChI=1S/C6H11NO4/c8-4-2-7-1-3(5(4)9)6(10)11/h3-5,7-9H,1-2H2,(H,10,11)/t3-,4+,5+/m0/s1

InChIKey:

SSMLJUWXZFXWSF-VPENINKCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O
CACTVS 3.385	O[C@@H]1CNC[C@@H]([C@H]1O)C(O)=O
ACDLabs 12.01	C1NCC(C(O)=O)C(C1O)O
OpenEye OEToolkits 2.0.6	C1C(C(C(CN1)O)O)C(=O)O
CACTVS 3.385	O[CH]1CNC[CH]([CH]1O)C(O)=O

Name:

(3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid

ChEMBL:

CHEMBL4589187

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).