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BioLiP

PDB CCD ID: X3B
Number of entries in BioLiP: 1
Chemical formula: C5 H8 O4
InChI: InChI=1S/C5H8O4/c1-4-8-3-2-5(6,7)9-4/h6-7H,1-3H2
InChIKey: IMDAPZFNKPSNIF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C=C1OCCC(O1)(O)O
CACTVS 3.385OC1(O)CCOC(=C)O1
Name:2-methylidene-1,3-dioxane-4,4-diol
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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