BioLiP

PDB

BioLiP

PDB CCD ID:

XIL

Number of entries in BioLiP:

Chemical formula:

C10 H17 N O7

InChI:

InChI=1S/C10H17NO7/c12-4-3-17-10(8(15)6(4)13)18-5-1-2-11-9(16)7(5)14/h4-8,10,12-15H,1-3H2,(H,11,16)/t4-,5-,6+,7+,8-,10+/m1/s1

InChIKey:

BHZMHPRIYUPDCT-BQWZOORQSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C2NCCC(OC1OCC(O)C(O)C1O)C2O
OpenEye OEToolkits 1.5.0	C1CNC(=O)C(C1OC2C(C(C(CO2)O)O)O)O
OpenEye OEToolkits 1.5.0	C1CNC(=O)[C@H]([C@@H]1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O
CACTVS 3.341	O[C@@H]1CO[C@@H](O[C@@H]2CCNC(=O)[C@H]2O)[C@H](O)[C@H]1O
CACTVS 3.341	O[CH]1CO[CH](O[CH]2CCNC(=O)[CH]2O)[CH](O)[CH]1O

Name:

(3S,4R)-3-hydroxy-2-oxopiperidin-4-yl beta-D-xylopyranoside;
3-HYDROXY-4-(3,4,5-TRIHYDROXY-TETRAHYDRO-PYRAN-2-YLOXY)-PIPERIDIN-2-ONE;
(3S,4R)-3-hydroxy-2-oxopiperidin-4-yl beta-D-xyloside;
(3S,4R)-3-hydroxy-2-oxopiperidin-4-yl D-xyloside;
(3S,4R)-3-hydroxy-2-oxopiperidin-4-yl xyloside

DrugBank:

DB03717

ZINC:

ZINC000005847806

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).