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BioLiP

PDB CCD ID: LFH
Number of entries in BioLiP: 1
Chemical formula: C7 H5 Fe2 N3 O3 S3
InChI: InChI=1S/C2H6NS2.2CN.3CO.2Fe.H2S/c4-1-3-2-5;5*1-2;;;/h3-4H,1-2H2;;;;;;;;1H2/q;;;;2*+1;;+1;/p-2
InChIKey: VVXMKEXCTCBOII-UHFFFAOYSA-L
SMILES:
SoftwareSMILES
CACTVS 3.385S.O=C1[Fe](C#N)(C#[O+])[S-]2CNCS[Fe]12(C#N)C#[O+]
OpenEye OEToolkits 2.0.7C1NC[S]2[Fe]3([S-]1[Fe]2(C3=O)(C#N)(C#[O+])[S])(C#N)C#[O+]
Name:dicarbonyl[bis(cyanide-kappaC)]-mu-(iminodimethanethiolatato-1kappaS:2kappaS)-mu-(oxomethylidene)diiron(2+) sulphide

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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