Chemical Components in the PDB

pdbe.org/chem
spacer

BCT : Summary

Code

BCT

One-letter code

X

Molecule name

BICARBONATE ION

Systematic names

ProgramVersionName
ACDLabs 10.04 hydrogen carbonate
OpenEye OEToolkits 1.5.0 hydrogen carbonate

Formula

C H O3

Formal charge

-1

Molecular weight

61.017 Da

SMILES

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

IUPAC InChI

InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1

IUPAC InChI key

BVKZGUZCCUSVTD-UHFFFAOYSA-M
BCT

wwPDB Information

Atom count

5 (4 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAI

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned