Chemical Components in the PDB

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6LL : Summary

Code

6LL

One-letter code

X

Molecule name

TETRAKIS-(MU-OXO)-DECA-OXO-TRIMOLYBDENUM

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.9.2 pentakis(oxidanylidene)-[[1,1,1,3,3-pentakis(oxidanylidene)-2,4,5-trioxa-1$l^{9},3$l^{8}-dimolybdabicyclo[1.1.1]pentan-3-yl]oxy]molybdenum

Formula

Mo3 O14

Formal charge

0

Molecular weight

511.812 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O=[Mo]12(=O)(O[Mo](=O)(=O)(=O)(O1)O2)O[Mo](=O)(=O)(=O)(=O)=O
SMILES OpenEye OEToolkits 1.9.2 O=[Mo]12(=O)(=O)O[Mo](=O)(=O)(O1)(O2)O[Mo](=O)(=O)(=O)(=O)=O
Canonical SMILES CACTVS 3.385 O=[Mo]12(=O)(O[Mo](=O)(=O)(=O)(O1)O2)O[Mo](=O)(=O)(=O)(=O)=O
Canonical SMILES OpenEye OEToolkits 1.9.2 O=[Mo]12(=O)(=O)O[Mo](=O)(=O)(O1)(O2)O[Mo](=O)(=O)(=O)(=O)=O

IUPAC InChI

InChI=1S/3Mo.14O

IUPAC InChI key

VGYKEVLINQLXTN-UHFFFAOYSA-N
6LL

wwPDB Information

Atom count

17 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-06-27

Last modified at

2014-09-05

Status

Released

Obsoleted

Not Assigned