BioLiP

PDB

BioLiP

PDB CCD ID:

IDJ

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O5

InChI:

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

InChIKey:

ZHFMVVUVCALAMY-NRXMZTRTSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)C1NCC(O)C(O)C1O
CACTVS 3.370	O[C@H]1CN[C@H]([C@@H](O)[C@@H]1O)C(O)=O
OpenEye OEToolkits 1.7.6	C1C(C(C(C(N1)C(=O)O)O)O)O
CACTVS 3.370	O[CH]1CN[CH]([CH](O)[CH]1O)C(O)=O
OpenEye OEToolkits 1.7.6	C1[C@@H]([C@H]([C@@H]([C@@H](N1)C(=O)O)O)O)O

Name:

(2R,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid;
[2R,3R,4R,5S]-2-carboxy-3,4,5-trihydroxy-piperidine

ChEMBL:

CHEMBL510486

ZINC:

ZINC000014818374

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).