Chemical Components in the PDB

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J7N : Summary

Code

J7N

One-letter code

X

Molecule name

2,2,4-tris(oxidanyl)-1,3-dioxa-2$l^{4},4$l^{3}-dimolybdacyclobutane

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2,2,4-tris(oxidanyl)-1,3-dioxa-2$l^{4},4$l^{3}-dimolybdacyclobutane

Formula

H3 Mo2 O5

Formal charge

0

Molecular weight

274.901 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O[Mo]1O[Mo](O)(O)O1
SMILES OpenEye OEToolkits 2.0.7 O[Mo]1O[Mo](O1)(O)O
Canonical SMILES CACTVS 3.385 O[Mo]1O[Mo](O)(O)O1
Canonical SMILES OpenEye OEToolkits 2.0.7 O[Mo]1O[Mo](O1)(O)O

IUPAC InChI

InChI=1S/2Mo.3H2O.2O/h;;3*1H2;;/q+1;+2;;;;;/p-3

IUPAC InChI key

AUVZZTGQIKYYRK-UHFFFAOYSA-K
J7N

wwPDB Information

Atom count

10 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-02-09

Last modified at

2019-02-15

Status

Released

Obsoleted

Not Assigned