BioLiP

PDB

BioLiP

PDB CCD ID:

EVA

Number of entries in BioLiP:

Chemical formula:

C6 H9 N O6

InChI:

InChI=1S/C6H9NO6/c8-2-1(6(12)13)7-5(11)4(10)3(2)9/h1-4,8-10H,(H,7,11)(H,12,13)/t1-,2+,3-,4+/m0/s1

InChIKey:

YEWOHTVJCCDCCS-NTAGLIMJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C1(C(C(NC(=O)C1O)C(=O)O)O)O
OpenEye OEToolkits 1.7.0	[C@@H]1([C@@H]([C@H](NC(=O)[C@@H]1O)C(=O)O)O)O
CACTVS 3.352	O[CH]1[CH](O)[CH](NC(=O)[CH]1O)C(O)=O
ACDLabs 11.02	O=C(O)C1NC(=O)C(O)C(O)C1O
CACTVS 3.352	O[C@H]1[C@H](O)[C@H](NC(=O)[C@@H]1O)C(O)=O

Name:

(2S,3R,4S,5R)-3,4,5-trihydroxy-6-oxopiperidine-2-carboxylic acid

ChEMBL:

CHEMBL1232598

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).