BioLiP

PDB

BioLiP

PDB CCD ID:

VP5

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O5

InChI:

InChI=1S/C6H11NO5/c8-4-3(5(9)10)1-7-2-6(4,11)12/h3-4,7-8,11-12H,1-2H2,(H,9,10)/t3-,4+/m0/s1

InChIKey:

VJJFPBNJYGLWRR-IUYQGCFVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1C(C(C(CN1)(O)O)O)C(=O)O
OpenEye OEToolkits 2.0.7	C1[C@@H]([C@H](C(CN1)(O)O)O)C(=O)O
CACTVS 3.385	O[CH]1[CH](CNCC1(O)O)C(O)=O
CACTVS 3.385	O[C@@H]1[C@H](CNCC1(O)O)C(O)=O

Name:

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