Chemical Components in the PDB

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ICS : Summary

Code

ICS

One-letter code

X

Molecule name

iron-sulfur-molybdenum cluster with interstitial carbon

Systematic names

Not Assigned

Formula

C Fe7 Mo S9

Formal charge

0

Molecular weight

787.451 Da

SMILES

TypeProgramVersionDescriptor
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

IUPAC InChI

InChI=1S/C.7Fe.Mo.9S

IUPAC InChI key

DDQFAOMIVKLFON-UHFFFAOYSA-N
ICS

wwPDB Information

Atom count

18 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-10-18

Last modified at

2011-12-02

Status

Released

Obsoleted

Not Assigned