ammonium carbonate   Click here for help

GtoPdb Ligand ID: 4509

Compound class: Synthetic organic
2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

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Canonical SMILES [O-]C(=O)[O-].[NH4+].[NH4+]
Isomeric SMILES [O-]C(=O)[O-].[NH4+].[NH4+]
InChI InChI=1S/CH2O3.2H3N/c2-1(3)4;;/h(H2,2,3,4);2*1H3
InChI Key PRKQVKDSMLBJBJ-UHFFFAOYSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
diammonium carbonate
Database Links Click here for help
ChEMBL Ligand CHEMBL2105849
GtoPdb PubChem SID 178101236
PubChem CID 517111
Search Google for chemical match using the InChIKey PRKQVKDSMLBJBJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PRKQVKDSMLBJBJ
UniChem Compound Search for chemical match using the InChIKey PRKQVKDSMLBJBJ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey PRKQVKDSMLBJBJ-UHFFFAOYSA-N
Wikipedia Ammonium carbonate