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BioLiP

PDB CCD ID: C5X
Number of entries in BioLiP: 1
Chemical formula: C10 H18 O6
InChI: InChI=1S/C10H18O6/c11-7-5-16-10(9(13)8(7)12)14-3-1-2-6-4-15-6/h6-13H,1-5H2/t6-,7-,8+,9-,10-/m1/s1
InChIKey: DMNHSULDBMDHLY-HOTMZDKISA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O(CCCC1OC1)C2OCC(O)C(O)C2O
OpenEye OEToolkits 1.5.0C1[C@H](O1)CCCO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O
CACTVS 3.341O[C@@H]1CO[C@@H](OCCC[C@@H]2CO2)[C@H](O)[C@H]1O
CACTVS 3.341O[CH]1CO[CH](OCCC[CH]2CO2)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C1C(O1)CCCOC2C(C(C(CO2)O)O)O
Name:3-[(2R)-oxiran-2-yl]propyl beta-D-xylopyranoside;
4,5-EPOXYPENTYL-BETA-D-XYLOSIDE;
3-[(2R)-oxiran-2-yl]propyl beta-D-xyloside;
3-[(2R)-oxiran-2-yl]propyl D-xyloside;
3-[(2R)-oxiran-2-yl]propyl xyloside
ZINC: ZINC000033821242
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).
  • 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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