BioLiP

PDB

BioLiP

PDB CCD ID:

VON

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O5

InChI:

InChI=1S/C6H11NO5/c8-3-2(6(11)12)1-7-5(10)4(3)9/h2-5,7-10H,1H2,(H,11,12)/t2-,3-,4-,5+/m0/s1

InChIKey:

ZIPHSWANMLXHEB-NEEWWZBLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1[C@@H]([C@@H]([C@@H]([C@H](N1)O)O)O)C(=O)O
CACTVS 3.385	O[C@H]1NC[C@@H]([C@H](O)[C@@H]1O)C(O)=O
OpenEye OEToolkits 2.0.7	C1C(C(C(C(N1)O)O)O)C(=O)O
CACTVS 3.385	O[CH]1NC[CH]([CH](O)[CH]1O)C(O)=O

Name:

(3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)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).