BioLiP

PDB

BioLiP

PDB CCD ID:

VPQ

Number of entries in BioLiP:

Chemical formula:

C7 H13 N O6

InChI:

InChI=1S/C7H13NO6/c8-7(13)6-5(12)4(11)3(10)2(1-9)14-6/h2-6,9-12H,1H2,(H2,8,13)/t2-,3-,4+,5+,6-/m1/s1

InChIKey:

UKWLGCFJAVEFPE-RWOPYEJCSA-N

SMILES:

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

Name:

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