BCT

BICARBONATE ION

Created:	1999-07-08
Last modified:	2024-09-27

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389 entries where BCT is found as a standalone ligand3 entries where BCT is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	-1
Atom Count	5
Chiral Atom Count	0
Bond Count	4
Aromatic Bond Count	0

2D diagram of BCT

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Chemical Component Summary
Name	BICARBONATE ION
Systematic Name (OpenEye OEToolkits)	hydrogen carbonate
Formula	C H O₃
Molecular Weight	61.017
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
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-]
InChI	InChI	1.03	InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
InChIKey	InChI	1.03	BVKZGUZCCUSVTD-UHFFFAOYSA-M

Related Resource References

Resource Name	Reference
PubChem	769, 22647601
ChEBI	CHEBI:17544
CCDC/CSD	GILCIP, BASPAN, IQAPUM, LILQOM, DEDQIO, ISECIT, IDIHIN, HEQWOR, FAXBAJ, COFFUZ01, IQAQAT, IQAQEX, COFFUZ, AXACEI01, BICWIU, HAKLEL01, GOMJUO, FIWTOU, IQAQOH, AXACEI, DUMPUW, FEHQIV, IQAQUN, HAKLEL, FEMQIY, FISQOP, FOVBOJ, DIZVIS, IQAPOG, HEGLUD, KUPZAY, IQAQIB, FAVQIE, COWCEZ

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.