SEQ2FUN

BioLiP

PDB CCD ID: RR7
Number of entries in BioLiP: 3
Chemical formula: C6 H12 O5
InChI: InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5-,6+/m1/s1
InChIKey: PMMURAAUARKVCB-KAZBKCHUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1C(C(C(OC1O)CO)O)O
CACTVS 3.385OC[C@H]1O[C@@H](O)C[C@@H](O)[C@@H]1O
CACTVS 3.385OC[CH]1O[CH](O)C[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
ACDLabs 12.01C1(CC(O)C(C(CO)O1)O)O
Name:2-deoxy-beta-D-arabino-hexopyranose;
2-deoxy-alpha-D-glucopyranose
ChEMBL: CHEMBL2208394
ZINC: ZINC000003860329
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).