ICH

iron-sulfur-molybdenum cluster with interstitial carbon with selenium incorporated

Created:	2015-08-07
Last modified:	2015-12-29

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1 entries where ICH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	2
Bond Count	30
Aromatic Bond Count	0

2D diagram of ICH

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Chemical Component Summary
Name	iron-sulfur-molybdenum cluster with interstitial carbon with selenium incorporated
Formula	C Fe₇ Mo S₆ Se₃
Molecular Weight	928.136
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	S1[Fe]S[Fe]23S[Fe]4[Se][Fe]5S[Fe]67S[Mo]S[Fe]([Se]2)[C]3456[Fe]1[Se]7
SMILES	OpenEye OEToolkits	1.9.2	C12345[Fe]67[S]8[Fe]19[S]1[Fe]8[S]6[Fe]21[Se][Fe]31[S]2[Fe]4([Se]7)[S]3[Fe]5([S]1[Mo]32)[Se]9
Canonical SMILES	CACTVS	3.385	S1[Fe]S[Fe@@]23S[Fe]4[Se][Fe]5S[Fe@@]67S[Mo]S[Fe]([Se]2)[C]3456[Fe]1[Se]7
Canonical SMILES	OpenEye OEToolkits	1.9.2	C12345[Fe]67[S]8[Fe]19[S]1[Fe]8[S]6[Fe]21[Se][Fe]31[S]2[Fe]4([Se]7)[S]3[Fe]5([S]1[Mo]32)[Se]9
InChI	InChI	1.03	InChI=1S/C.7Fe.Mo.6S.3Se
InChIKey	InChI	1.03	WTYUMBSEMHMDAI-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.