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BioLiP

PDB CCD ID: EBG
Number of entries in BioLiP: 4
Chemical formula: C10 H18 O7
InChI: InChI=1S/C10H18O7/c11-3-6-7(12)8(13)9(14)10(17-6)15-2-1-5-4-16-5/h5-14H,1-4H2/t5-,6+,7+,8-,9+,10-/m0/s1
InChIKey: RZSIARIQGABJJE-DLXYEPTOSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@H](OCC[C@H]2CO2)[C@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C1C(O1)CCOC2C(C(C(C(O2)CO)O)O)O
CACTVS 3.341OC[CH]1O[CH](OCC[CH]2CO2)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04O(CCC1OC1)C2OC(C(O)C(O)C2O)CO
OpenEye OEToolkits 1.5.0C1[C@@H](O1)CCO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Name:2-[(2S)-oxiran-2-yl]ethyl alpha-D-glucopyranoside;
2-HYDROXYMETHYL-6-(2-OXIRANYL-ETHOXY)-TETRAHYDRO-PYRAN-3,4,5-TRIOL;
3,4-EPOXYBUTYL-ALPHA-D-GLUCOPYRANOSIDE;
2-[(2S)-oxiran-2-yl]ethyl alpha-D-glucoside;
2-[(2S)-oxiran-2-yl]ethyl D-glucoside;
2-[(2S)-oxiran-2-yl]ethyl glucoside
DrugBank: DB02645
ZINC: ZINC000033821285
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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