Chemical Components in the PDB

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NOB : Summary

Code

NOB

One-letter code

X

Molecule name

(dihydroxyboranyloxy-hydroxy-boranyl)oxylithium

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.5.0 (dihydroxyboranyloxy-hydroxy-boranyl)oxylithium

Formula

B2 H3 Li O5

Formal charge

0

Molecular weight

111.584 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.341 [Li]OB(O)OB(O)O
SMILES OpenEye OEToolkits 1.5.0 [Li]OB(O)OB(O)O
Canonical SMILES CACTVS 3.341 [Li]OB(O)OB(O)O
Canonical SMILES OpenEye OEToolkits 1.5.0 [Li]OB(O)OB(O)O

IUPAC InChI

InChI=1S/B2H3O5.Li/c3-1(4)7-2(5)6;/h3-5H;/q-1;+1

IUPAC InChI key

OBDSFKZXLCSJJG-UHFFFAOYSA-N
NOB

wwPDB Information

Atom count

11 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-06-11

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned