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BioLiP

PDB CCD ID: CNF
Number of entries in BioLiP: 1
Chemical formula: Fe3 H9 O12
InChI: InChI=1S/3Fe.9H2O.3O/h;;;9*1H2;;;/q+2;+3;+4;;;;;;;;;;;;/p-9
InChIKey: IYMKJKNVMFFAIB-UHFFFAOYSA-E
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7O[Fe]1(O[Fe]2(O1[Fe](O2)(O)(O)(O)O)(O)O)(O)O
OpenEye OEToolkits 2.0.7O[Fe]1(O[Fe]2([O@@]1[Fe](O2)(O)(O)(O)O)(O)O)(O)O
CACTVS 3.385O[Fe](O)(O)O[Fe]1(O)(O)O[Fe](O)(O)(O)(O)O1
Name:OXO-IRON CLUSTER 3
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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