Chemical database and ontology of molecular entities
Chemical Entities of Biological Interest (ChEBI)
Content
Description
Chemical database
Data types captured
Small chemical compounds
Contact
Research center
European Molecular Biology Laboratory
Laboratory
European Bioinformatics Institute
Primary citation
de Matos et al[1]
Access
Website
www.ebi.ac.uk/chebi
Download URL
ftp.ebi.ac.uk/pub/databases/chebi
Web service URL
www.ebi.ac.uk/chebi/webServices.do
Sparql endpoint
BIO2RDF
Tools
Web
www.ebi.ac.uk/chebi
Miscellaneous
Data release frequency
monthly
Curation policy
Manually curated
Chemical Entities of Biological Interest, also known as ChEBI,[1][2] is a chemical database and ontology of molecular entities focused on 'small' chemical compounds, that is part of the Open Biomedical Ontologies (OBO) effort at the European Bioinformatics Institute (EBI). The term "molecular entity" refers to any "constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer, etc., identifiable as a separately distinguishable entity".[3] The molecular entities in question are either products of nature or synthetic products which have potential bioactivity. Molecules directly encoded by the genome, such as nucleic acids, proteins and peptides derived from proteins by proteolytic cleavage, are not as a rule included in ChEBI.
ChEBI uses nomenclature, symbolism and terminology endorsed by the International Union of Pure and Applied Chemistry (IUPAC) and nomenclature committee of the International Union of Biochemistry and Molecular Biology (NC-IUBMB).
^ abde Matos P, Alcántara R, Dekker A, Ennis M, Hastings J, Haug K, Spiteri I, Turner S, Steinbeck C (2010). "Chemical Entities of Biological Interest: an update". Nucleic Acids Research. 38 (Database issue): D249-54. doi:10.1093/nar/gkp886. PMC 2808869. PMID 19854951.
^Degtyarenko K, de Matos P, Ennis M, Hastings J, Zbinden M, McNaught A, Alcántara R, Darsow M, Guedj M, Ashburner M (2008). "ChEBI: a database and ontology for chemical entities of biological interest". Nucleic Acids Research. 36 (Database issue): D344-50. doi:10.1093/nar/gkm791. PMC 2238832. PMID 17932057.
^IUPAC, Compendium of Chemical Terminology, 2nd ed. (the "Gold Book") (1997). Online corrected version: (2006–) "molecular entity". doi:10.1351/goldbook.M03986
Chemical Entities of Biological Interest, also known as ChEBI, is a chemical database and ontology of molecular entities focused on 'small' chemical compounds...
(CHEBI:30623)". www.ebi.ac.uk. Retrieved 2 January 2019. oxalate(2−) (CHEBI:30623) is conjugate base of oxalate(1−) (CHEBI:46904) … oxalate(1−) (CHEBI:46904)...
Chebi may refer to: ChEBI, Chemical Entities of Biological Interest Chebi Khan (fl. 630-650), a claimant of the title of khan of Eastern Turkic Khaganate...
methanediyl −CH 2− Methanetriyl group >CH− Methylylidyne group ≡C− "Methanylylidene group". Chemical Entities of Biological Interest (ChEBI) database. 2007...
1186/s13046-021-02134-y. PMC 8557029. PMID 34717701. Park S, Ahn S, Shin Y, Yang Y, Yeom CH (2018). "Vitamin C in cancer: a metabolomics perspective". Front Physiol....
Arterial blood gas test "hydrogencarbonate (CHEBI:17544)". Chemical Entities of Biological Interest (ChEBI). UK: European Institute of Bioinformatics....
(heptahydrate) Y 3D model (JSmol) Interactive image ChEBICHEBI:32599 Y CHEBI:31795 (heptahydrate) ChEMBL ChEMBL2021423 N ChEMBL3989857 (heptahydrate) ChemSpider 22515 Y...
Trihydrogen cation Argonium "hydridohelium(1+) (CHEBI:33688)". Chemical Entities of Biological Interest (ChEBI). European Bioinformatics Institute. Engel,...
citation needed] Its molecular structure could be idealized as HOOC−CH(NH 2)−(CH 2)2−COOH, with two carboxyl groups −COOH and one amino group −NH 2. However...
arrangement of atoms (NNO) Nitryl "nitrogen dioxide (CHEBI:33101)". Chemical Entities of Biological Interest (ChEBI). UK: European Bioinformatics Institute. 13...
Interactive image Abbreviations Met, M ChEBI L: CHEBI:16643 Y D/L: CHEBI:16811 Y D: CHEBI:16867 Y ChEMBL L: ChEMBL42336 Y ChemSpider L: 5907 Y D/L: 853 Y...
from the original on 6 April 2022. Retrieved 6 April 2022. Gibbons RD, Brown CH, Hur K, Davis J, Mann JJ (June 2012). "Suicidal thoughts and behavior with...
September 2018. Nelson JC, Lu Pritchett Y, Martynov O, Yu JY, Mallinckrodt CH, Detke MJ (2006). "The safety and tolerability of duloxetine compared with...
citrate: BW9B0ZE037 Y KEGG D08514 Y citrate: D02229 Y ChEBICHEBI:9139 Y citrate: CHEBI:58987 Y ChEMBL ChEMBL192 Y citrate: ChEMBL1737 Y PDB ligand VIA (PDBe, RCSB PDB)...
1054. ISBN 978-0-85404-182-4. "hydridocarbon (CHEBI:51382)". Chemical Entities of Biological Interest (ChEBI). UK: European Bioinformatics Institute. IUPAC...
HCl: G447S0T1VC KEGG D08664 Y as HCl: D00398 ChEBICHEBI:35854 Y as HCl: CHEBI:9919 ChEMBL ChEMBL1349 Y as HCl: ChEMBL1201110 NIAID ChemDB 070982 CompTox Dashboard...
HCl: 57WVB6I2W0 KEGG D07473 Y as HCl: D02574 ChEBICHEBI:127342 Y as HCl: CHEBI:331697 ChEMBL ChEMBL641 Y as HCl: ChEMBL1702 CompTox Dashboard (EPA) DTXSID9044297...
HCl: 76755771U3 KEGG D08054 Y as HCl: D00672 ChEBICHEBI:5818 Y as HCl: CHEBI:5819 ChEMBL ChEMBL896 Y as HCl: ChEMBL3186993 CompTox Dashboard (EPA) DTXSID8023137...
6132-02-1 (decahydrate) Y 3D model (JSmol) Interactive image ChEBICHEBI:29377 Y ChEMBL ChEMBL186314 Y ChemSpider 9916 Y ECHA InfoCard 100.007.127 EC Number...
neither compound is described as bitter. "Ethylene glycol (CHEBI:30742)". "Ethylene glycol (CHEBI:30742)". International Union of Pure and Applied Chemistry...
10101-41-4 Y 3D model (JSmol) Interactive image ChEBICHEBI:31346 Y (dihydrate): CHEBI:32583 ChEMBL ChEMBL2106140 ChemSpider 22905 Y DrugBank DB15533 ECHA...
DrugBank DB00341 Y ChemSpider 2577 Y UNII YO7261ME24 KEGG D07662 Y ChEBICHEBI:3561 Y ChEMBL ChEMBL1000 Y CompTox Dashboard (EPA) DTXSID4022787 ECHA InfoCard...
DrugBank DB01013 Y ChemSpider 30399 Y UNII 779619577M KEGG D01272 ChEBICHEBI:31414 Y ChEMBL ChEMBL1159650 Y CompTox Dashboard (EPA) DTXSID6045907 ECHA InfoCard...
HCl: 82F2G7BL4E KEGG D03899 Y as HCl: D01275 ChEBICHEBI:28748 Y as HCl: CHEBI:31522 ChEMBL ChEMBL53463 N as HCl: ChEMBL359744 CompTox Dashboard (EPA) DTXSID8021480...
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