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BioLiP

PDB CCD ID: CNB
Number of entries in BioLiP: 4
Chemical formula: Fe3 H8 O11
InChI: InChI=1S/3Fe.8H2O.3O/h;;;8*1H2;;;/q+2;2*+3;;;;;;;;;;;/p-8
InChIKey: HGBUJFYYDTXMPV-UHFFFAOYSA-F
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0O[Fe]1(O[Fe](O[Fe](O1)(O)(O)O)(O)(O)O)O
CACTVS 3.341O[Fe]1(O)O[Fe](O)(O)(O)O[Fe](O)(O)(O)O1
CACTVS 3.341O[Fe@@]1(O)O[Fe](O)(O)(O)O[Fe](O)(O)(O)O1
Name:OXO-IRON CLUSTER 1
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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