Chemical Components in the PDB

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BO4 : Summary

Code

BO4

One-letter code

X

Molecule name

BORATE ION

Systematic names

ProgramVersionName
ACDLabs 10.04 tetrahydroxyborate(1-)
OpenEye OEToolkits 1.5.0 tetrahydroxyboron

Formula

B H4 O4

Formal charge

-1

Molecular weight

78.84 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O[B-](O)(O)O
SMILES CACTVS 3.341 O[B-](O)(O)O
SMILES OpenEye OEToolkits 1.5.0 [B-](O)(O)(O)O
Canonical SMILES CACTVS 3.341 O[B-](O)(O)O
Canonical SMILES OpenEye OEToolkits 1.5.0 [B-](O)(O)(O)O

IUPAC InChI

InChI=1S/BH4O4/c2-1(3,4)5/h2-5H/q-1

IUPAC InChI key

KCFLOKKYWBPKFN-UHFFFAOYSA-N
BO4

wwPDB Information

Atom count

9 (5 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