BioLiP

PDB

BioLiP

PDB CCD ID:

XDN

Number of entries in BioLiP:

Chemical formula:

C5 H11 N O3

InChI:

InChI=1S/C5H11NO3/c7-3-1-6-2-4(8)5(3)9/h3-9H,1-2H2/t3-,4+,5+

InChIKey:

RMCNETIHECSPMZ-SCDXWVJYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	O[C@H]1CNC[C@@H](O)[C@@H]1O
ACDLabs 12.01	OC1CNCC(O)C1O
CACTVS 3.370	O[CH]1CNC[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6	C1[C@H](C([C@H](CN1)O)O)O
OpenEye OEToolkits 1.7.6	C1C(C(C(CN1)O)O)O

Name:

PIPERIDINE-3,4,5-TRIOL;
XYLOSE-DERIVED 1-DEOXY-NOJIRIMYCIN

ChEMBL:

CHEMBL110830

ZINC:

ZINC000100872034

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).