SEQ2FUN

BioLiP

PDB CCD ID: C3X
Number of entries in BioLiP: 1
Chemical formula: C8 H14 O6
InChI: InChI=1S/C8H14O6/c9-5-3-14-8(7(11)6(5)10)13-2-4-1-12-4/h4-11H,1-3H2/t4-,5-,6+,7-,8-/m1/s1
InChIKey: JKWGJZWJCPSTJC-JAJWTYFOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(O1)COC2C(C(C(CO2)O)O)O
ACDLabs 10.04O(CC1OC1)C2OCC(O)C(O)C2O
OpenEye OEToolkits 1.5.0C1[C@@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O
CACTVS 3.341O[CH]1CO[CH](OC[CH]2CO2)[CH](O)[CH]1O
CACTVS 3.341O[C@@H]1CO[C@@H](OC[C@H]2CO2)[C@H](O)[C@H]1O
Name:(2R)-oxiran-2-ylmethyl beta-D-xylopyranoside;
2,3-EPOXYPROPYL-BETA-D-XYLOSIDE;
(2R)-oxiran-2-ylmethyl beta-D-xyloside;
(2R)-oxiran-2-ylmethyl D-xyloside;
(2R)-oxiran-2-ylmethyl xyloside
ZINC: ZINC000033821240
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).