SEQ2FUN

BioLiP

PDB CCD ID: OPG
Number of entries in BioLiP: 1
Chemical formula: C7 H12 O5
InChI: InChI=1S/C7H12O5/c8-2-7-4(12-7)1-3(9)5(10)6(7)11/h3-6,8-11H,1-2H2/t3-,4+,5+,6-,7+/m0/s1
InChIKey: BDIDRHMZXLEMIZ-CXNFULCWSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01OCC12OC2CC(O)C(O)C1O
OpenEye OEToolkits 1.7.6C1[C@@H]([C@H]([C@@H]([C@]2([C@@H]1O2)CO)O)O)O
OpenEye OEToolkits 1.7.6C1C(C(C(C2(C1O2)CO)O)O)O
CACTVS 3.370OC[C@@]12O[C@@H]1C[C@H](O)[C@@H](O)[C@@H]2O
CACTVS 3.370OC[C]12O[CH]1C[CH](O)[CH](O)[CH]2O
Name:OXIRANPSEUDOGLUCOSE
DrugBank: DB02394
ZINC: ZINC000033821452
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).