BioLiP

PDB

BioLiP

PDB CCD ID:

MVL

Number of entries in BioLiP:

Chemical formula:

C8 H12 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/t4-,5-,6+,7+/m1/s1

InChIKey:

RZRDQZQPTISYKY-JWXFUTCRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cn2c(n1)C(C(C(C2CO)O)O)O
OpenEye OEToolkits 1.7.6	c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O
CACTVS 3.385	OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12
ACDLabs 12.01	n1ccn2c1C(O)C(O)C(O)C2CO
CACTVS 3.385	OC[CH]1[CH](O)[CH](O)[CH](O)c2nccn12

Name:

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

ChEMBL:

CHEMBL1213397

ZINC:

ZINC000003821680

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).