BioLiP

PDB

BioLiP

PDB CCD ID:

VPL

Number of entries in BioLiP:

Chemical formula:

C7 H13 N O5

InChI:

InChI=1S/C7H13NO5/c8-7(12)4-1-3(10)6(11)5(2-9)13-4/h3-6,9-11H,1-2H2,(H2,8,12)/t3-,4-,5-,6-/m1/s1

InChIKey:

XSQZVCXBAGPICS-KVTDHHQDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1[C@H]([C@H]([C@H](O[C@H]1C(=O)N)CO)O)O
OpenEye OEToolkits 2.0.7	C1C(C(C(OC1C(=O)N)CO)O)O
CACTVS 3.385	NC(=O)[CH]1C[CH](O)[CH](O)[CH](CO)O1
CACTVS 3.385	NC(=O)[C@H]1C[C@@H](O)[C@@H](O)[C@@H](CO)O1

Name:

(2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxamide

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).