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BioLiP

PDB CCD ID: HC1
Number of entries in BioLiP: 6
Chemical formula: C5 H8 Fe2 O7 S2
InChI: InChI=1S/4CHO.CO.2Fe.2H2O.2S/c5*1-2;;;;;;/h4*1H;;;;2*1H2;;
InChIKey: DXKOXSKJHMBSFW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O.O.O=C[Fe]12(S[Fe](S1)(C=O)(C=O)C2=O)C=O
OpenEye OEToolkits 2.0.7C(=O)[Fe]123(C(=O)[Fe]1(S2)(S3)(C=O)(C=O)[OH2])(C=O)[OH2]
Name:2 IRON/2 SULFUR/5 CARBONYL/2 WATER INORGANIC CLUSTER
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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