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BioLiP

PDB CCD ID: DGO
Number of entries in BioLiP: 12
Chemical formula: C6 H10 O4
InChI: InChI=1S/C6H10O4/c7-3-5-6(9)4(8)1-2-10-5/h1-2,4-9H,3H2/t4-,5-,6+/m1/s1
InChIKey: YVECGMZCTULTIS-PBXRRBTRSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C=1OC(C(C(C=1)O)O)CO
CACTVS 3.385OC[CH]1OC=C[CH](O)[CH]1O
OpenEye OEToolkits 2.0.4C1=COC(C(C1O)O)CO
CACTVS 3.385OC[C@H]1OC=C[C@@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.4C1=CO[C@@H]([C@H]([C@@H]1O)O)CO
Name:D-glucal
ChEMBL: CHEMBL2115567
ZINC: ZINC000004284522
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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