LJB

MO(8)-O(26) Cluster

Created:	2019-08-20
Last modified:	2019-12-18

Find Related PDB Entry
1 entries where LJB 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	7
Atom Count	49
Chiral Atom Count	0
Bond Count	59
Aromatic Bond Count	0

2D diagram of LJB

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	MO(8)-O(26) Cluster
Formula	H₁₅ Mo₈ O₂₆
Molecular Weight	1,198.623
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O[Mo]12[O+]3[Mo]4(O)(O)O[Mo]56(O)(O)O[Mo]78(O)(O)O[Mo]9%10(O)(O)O[Mo]%11(O)(O)(O[Mo]3(O)(O)(O)[O+]%11[Mo](O)([O+]45)([O+]79)[O++]168)[O+]2%10
SMILES	OpenEye OEToolkits	2.0.7	O[Mo]12[O+]3[Mo]4(O[Mo]56([O+]4[Mo]78([O+2]15[Mo]9(O6)([O+]7[Mo]1(O9)([O+]2[Mo]2(O1)([O+]8[Mo]3(O2)(O)(O)O)(O)O)(O)O)(O)O)O)(O)O)(O)O
Canonical SMILES	CACTVS	3.385	O[Mo]12[O+]3[Mo]4(O)(O)O[Mo]56(O)(O)O[Mo]78(O)(O)O[Mo]9%10(O)(O)O[Mo]%11(O)(O)(O[Mo]3(O)(O)(O)[O+]%11[Mo](O)([O+]45)([O+]79)[O++]168)[O+]2%10
Canonical SMILES	OpenEye OEToolkits	2.0.7	O[Mo]12[O+]3[Mo]4(O[Mo]56([O+]4[Mo]78([O+2]15[Mo]9(O6)([O+]7[Mo]1(O9)([O+]2[Mo]2(O1)([O+]8[Mo]3(O2)(O)(O)O)(O)O)(O)O)(O)O)O)(O)O)(O)O
InChI	InChI	1.03	InChI=1S/8Mo.15H2O.11O/h;;;;;;;;151H2;;;;;;;;;;;/q2+1;5+2;+3;;;;;;;;;;;;;;;;;;;;;5+1;+2/p-15
InChIKey	InChI	1.03	BTBGOQYWAXYGKM-UHFFFAOYSA-A

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.