ICS

iron-sulfur-molybdenum cluster with interstitial carbon

Created:	2011-10-18
Last modified:	2011-10-18

Find Related PDB Entry
58 entries where ICS is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

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

2D diagram of ICS

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	iron-sulfur-molybdenum cluster with interstitial carbon
Formula	C Fe₇ Mo S₉
Molecular Weight	787.451
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.370	S1\|2[Fe]\|3S4\|[Fe]15S[Fe]67S\|8[Mo]9\|S%10[Fe]%11\|8S[Fe]%12\|2S\|3[Fe]4%13S[Fe]%10(\|S69)[C]57%11%12%13
SMILES	OpenEye OEToolkits	1.7.2	C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12
Canonical SMILES	CACTVS	3.370	S1\|2[Fe]\|3S4\|[Fe]15S[Fe]67S\|8[Mo]9\|S%10[Fe]%11\|8S[Fe]%12\|2S\|3[Fe]4%13S[Fe]%10(\|S69)[C]57%11%12%13
Canonical SMILES	OpenEye OEToolkits	1.7.2	C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12
InChI	InChI	1.03	InChI=1S/C.7Fe.Mo.9S
InChIKey	InChI	1.03	DDQFAOMIVKLFON-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.