BioLiP

PDB

BioLiP

PDB CCD ID:

EPG

Number of entries in BioLiP:

Chemical formula:

C9 H16 O7

InChI:

InChI=1S/C9H16O7/c10-1-5-6(11)7(12)8(13)9(16-5)15-3-4-2-14-4/h4-13H,1-3H2/t4-,5-,6-,7+,8-,9+/m1/s1

InChIKey:

NXJZWOCFSMYDAS-NZJLWHDDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1[C@@H](O1)CO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
OpenEye OEToolkits 1.5.0	C1C(O1)COC2C(C(C(C(O2)CO)O)O)O
CACTVS 3.341	OC[CH]1O[CH](OC[CH]2CO2)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04	O(CC1OC1)C2OC(C(O)C(O)C2O)CO
CACTVS 3.341	OC[C@H]1O[C@H](OC[C@H]2CO2)[C@H](O)[C@@H](O)[C@@H]1O

Name:

(2R)-oxiran-2-ylmethyl alpha-D-glucopyranoside;
2-HYDROXYMETHYL-6-OXIRANYLMETHOXY-TETRAHYDRO-PYRAN-3,4,5-TRIOL;
2,3-EPOXYPROPYL-ALPHA-D-GLUCOPYRANOSIDE;
(2R)-oxiran-2-ylmethyl alpha-D-glucoside;
(2R)-oxiran-2-ylmethyl D-glucoside;
(2R)-oxiran-2-ylmethyl glucoside

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).