BioLiP

PDB

BioLiP

PDB CCD ID:

C4X

Number of entries in BioLiP:

Chemical formula:

C9 H16 O6

InChI:

InChI=1S/C9H16O6/c10-6-4-15-9(8(12)7(6)11)13-2-1-5-3-14-5/h5-12H,1-4H2/t5-,6-,7+,8-,9-/m1/s1

InChIKey:

QVLDZEPOGBSMRP-SYHAXYEDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1[C@H](O1)CCO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O
CACTVS 3.341	O[CH]1CO[CH](OCC[CH]2CO2)[CH](O)[CH]1O
ACDLabs 10.04	O(CCC1OC1)C2OCC(O)C(O)C2O
CACTVS 3.341	O[C@@H]1CO[C@@H](OCC[C@@H]2CO2)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0	C1C(O1)CCOC2C(C(C(CO2)O)O)O

Name:

3,4-EPOXYBUTYL-BETA-D-XYLOSIDE

ZINC:

ZINC000033821241

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).