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FUQ : Summary

Code

FUQ

One-letter code

X

Molecule name

Mo5 Cluster

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 2,2,2,2,4,4,4,4,6,6,6,6,8,8,8,8,10,10,10,10-icosakis(oxidanyl)-1,3,5,7,9-pentaoxa-2$l^{6},4$l^{6},6$l^{6},8$l^{6},10$l^{6}-pentamolybdacyclodecane

Formula

H20 Mo5 O25

Formal charge

0

Molecular weight

899.844 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O[Mo]1(O)(O)(O)O[Mo](O)(O)(O)(O)O[Mo](O)(O)(O)(O)O[Mo](O)(O)(O)(O)O[Mo](O)(O)(O)(O)O1
SMILES OpenEye OEToolkits 2.0.6 O[Mo]1(O[Mo](O[Mo](O[Mo](O[Mo](O1)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)O
Canonical SMILES CACTVS 3.385 O[Mo]1(O)(O)(O)O[Mo](O)(O)(O)(O)O[Mo](O)(O)(O)(O)O[Mo](O)(O)(O)(O)O[Mo](O)(O)(O)(O)O1
Canonical SMILES OpenEye OEToolkits 2.0.6 O[Mo]1(O[Mo](O[Mo](O[Mo](O[Mo](O1)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)O

IUPAC InChI

InChI=1S/5Mo.20H2O.5O/h;;;;;20*1H2;;;;;/q5*+4;;;;;;;;;;;;;;;;;;;;;;;;;/p-20

IUPAC InChI key

KKTGFJKWMBVMER-UHFFFAOYSA-A
FUQ

wwPDB Information

Atom count

50 (30 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-07-30

Last modified at

2018-11-09

Status

Released

Obsoleted

Not Assigned