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BioLiP Library

PDB CCD ID: ZHG
Number of entries in BioLiP: 2
Chemical formula: C10 H14 O5
InChI: InChI=1S/C10H14O5/c1-4(11)8-6(13)3-7(14)9(5(2)12)10(8)15/h3-5,11-15H,1-2H3/t4-,5-/m1/s1
InChIKey: HTMUMTIHRQAXFS-RFZPGFLSSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[CH](O)c1c(O)cc(O)c([CH](C)O)c1O
OpenEye OEToolkits 2.0.7CC(c1c(cc(c(c1O)C(C)O)O)O)O
OpenEye OEToolkits 2.0.7C[C@H](c1c(cc(c(c1O)[C@@H](C)O)O)O)O
CACTVS 3.385C[C@@H](O)c1c(O)cc(O)c([C@@H](C)O)c1O
Name:2,4-bis[(1R)-1-oxidanylethyl]benzene-1,3,5-triol
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)(download the PDF file).
  • 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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