Chemical Components in the PDB

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BO3 : Summary

Code

BO3

One-letter code

X

Molecule name

BORIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 boric acid
OpenEye OEToolkits 1.5.0 boric acid

Formula

B H3 O3

Formal charge

0

Molecular weight

61.833 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OB(O)O
SMILES CACTVS 3.341 OB(O)O
SMILES OpenEye OEToolkits 1.5.0 B(O)(O)O
Canonical SMILES CACTVS 3.341 OB(O)O
Canonical SMILES OpenEye OEToolkits 1.5.0 B(O)(O)O

IUPAC InChI

InChI=1S/BH3O3/c2-1(3)4/h2-4H

IUPAC InChI key

KGBXLFKZBHKPEV-UHFFFAOYSA-N
BO3

wwPDB Information

Atom count

7 (4 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned