BioLiP

PDB

BioLiP

PDB CCD ID:

XYH

Number of entries in BioLiP:

Chemical formula:

C5 H8 N O7

InChI:

InChI=1S/C5H9NO7/c7-1(3(9)5(11)12)2(8)4(10)6-13/h1-3,7-9,13H,(H,6,10)(H,11,12)/p-1/t1-,2-,3+/m0/s1

InChIKey:

DMGBHBFPSRKPBV-XZIMBLGRSA-M

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(NO)C(O)C(O)C(O)C([O-])=O
OpenEye OEToolkits 1.5.0	[C@H]([C@@H](C(=O)NO)O)([C@H](C(=O)[O-])O)O
CACTVS 3.341	ONC(=O)[CH](O)[CH](O)[CH](O)C([O-])=O
OpenEye OEToolkits 1.5.0	C(C(C(=O)NO)O)(C(C(=O)[O-])O)O
CACTVS 3.341	ONC(=O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O

Name:

XYLAROHYDROXAMATE

DrugBank:

DB03734

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).