BioLiP

PDB

BioLiP

PDB CCD ID:

GIM

Number of entries in BioLiP:

Chemical formula:

C8 H13 N2 O4

InChI:

InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/p+1/t4-,5-,6+,7-/m1/s1

InChIKey:

RZRDQZQPTISYKY-MVIOUDGNSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1c[n+]2c([nH]1)C(C(C(C2CO)O)O)O
ACDLabs 10.04	OCC2[n+]1ccnc1C(O)C(O)C2O
CACTVS 3.341	OC[CH]1[CH](O)[CH](O)[CH](O)c2[nH]cc[n+]12
OpenEye OEToolkits 1.5.0	c1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O
CACTVS 3.341	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2[nH]cc[n+]12

Name:

GLUCOIMIDAZOLE;
(5S,6S,7R,8R)-5-(HYDROXYMETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL

ZINC:

ZINC000103543099

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).