BioLiP

PDB

BioLiP

PDB CCD ID:

N1L

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O6

InChI:

InChI=1S/C6H11NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,7H2,(H,10,11)/t1-,2-,3+,4+,6-/m1/s1

InChIKey:

CRIPFXSBMSGPKB-LVBGKUAWSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH]1[CH](O)O[CH]([CH](O)[CH]1O)C(O)=O
CACTVS 3.385	N[C@H]1[C@H](O)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O
ACDLabs 12.01	O=C(O)C1OC(O)C(N)C(O)C1O
OpenEye OEToolkits 1.9.2	C1(C(C(C(OC1O)C(=O)O)O)O)N
OpenEye OEToolkits 1.9.2	[C@H]1([C@H]([C@@H]([C@H](O[C@H]1O)C(=O)O)O)O)N

Name:

2-amino-2-deoxy-beta-D-glucopyranuronic acid;
2-amino-2-deoxy-beta-D-glucuronic acid;
2-amino-2-deoxy-D-glucuronic acid;
2-amino-2-deoxy-glucuronic acid

ZINC:

ZINC000003652695

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).