EcoDrugPlus


Synonyms	Bicarbonate Bicarbonate Ion Carbonic Acid Anion Hydrogen Carbonate
Status
Molecule Category	UNKNOWN
EPA CompTox	DTXSID9043801

Synonyms

Bicarbonate

Bicarbonate Ion

Carbonic Acid Anion

Hydrogen Carbonate

Status

Molecule Category

UNKNOWN

EPA CompTox

DTXSID9043801


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	BVKZGUZCCUSVTD-UHFFFAOYSA-N
Smiles	O=C(O)O
InChI	InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)

InChI Key

BVKZGUZCCUSVTD-UHFFFAOYSA-N

Smiles

O=C(O)O

InChI

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

Property Name	Value
Molecular Formula	CH2O3
Molecular Weight	62.02
AlogP	0.22
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	0.0
Polar Surface Area	57.53
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	4.0

Property Name

Value

Molecular Formula

CH2O3

Molecular Weight

62.02

AlogP

0.22

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

0.0

Polar Surface Area

57.53

Molecular species

ACID

Aromatic Rings

0.0

Heavy Atoms

4.0

Resources	Reference
ChEBI	28976
ChEMBL	CHEMBL1161632
Human Metabolome Database	HMDB0031453
KEGG	C01353
SureChEMBL	SCHEMBL1179
ZINC	ZINC000006827693

Resources

Reference

ChEBI

28976

ChEMBL

CHEMBL1161632

Human Metabolome Database

KEGG

SureChEMBL

ZINC


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

BICARBONATE

Structure

Physicochemical Descriptors

Cross References