BioLiP

PDB

BioLiP

PDB CCD ID:

MWC

Number of entries in BioLiP:

Chemical formula:

C6 H9 N O4

InChI:

InChI=1S/C6H9NO4/c1-5-2-3-6(11-5)4-10-7(8)9/h2-3,8-9H,4H2,1H3

InChIKey:

SOQIEJLVISKOKS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccc(o1)CON(O)O
CACTVS 3.385	Cc1oc(CON(O)O)cc1
ACDLabs 12.01	ON(O)OCc1ccc(C)o1

Name:

dihydroxy[(5-methylfuran-2-yl)methoxy]amine

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).