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ChEBI specifications


Unique identifier OMICS_02752
Name ChEBI
Alternative name Chemical Entities of Biological Interest
Restrictions to use None
Data access File download, Browse
Maintained Yes


  • person_outline Jan Hastings

Publications for Chemical Entities of Biological Interest

ChEBI citations


Ligand Binding Site Structure Influences the Evolution of Protein Complex Function and Topology

Cell Rep
PMCID: 5873459
PMID: 29562182
DOI: 10.1016/j.celrep.2018.02.085

[…] ni-Hochberg method (a.k.a. false discovery rate [FDR]), and the list of significantly enriched terms was submitted to the Revigo server () to remove redundancies, summarize, and visualize the results.ChEBI term enrichment was determined as follows. We determined the nonredundant list of ligands in MBS homomers and in all homomers, containing only a single instance of every ligand. For every ligand […]


Serum profile changes in postpartum women with a history of childhood maltreatment: a combined metabolite and lipid fingerprinting study

Sci Rep
PMCID: 5823924
PMID: 29472571
DOI: 10.1038/s41598-018-21763-6

[…] Finder (version 2.10) for further spectra comparison. MS-FINDER predicts molecular formulas based on MS information and retrieves isomer structures from metabolome databases (including HMDB, PubChem, ChEBi) to predict MS/MS spectra in-silico. Of the eight compounds targeted for MS/MS, three compounds (bilirubin IXa; ubiquinone 8; PC(O-18:0/20:0)) showed confident spectra similarities. In a last st […]


Structure Based Virtual Screening Studies to Identify Novel Potential Compounds for GPR142 and Their Relative Dynamic Analysis for Study of Type 2 Diabetes

PMCID: 5817085
PMID: 29492402
DOI: 10.3389/fchem.2018.00023

[…] ) Not annotated NCI, (6) Marine, (7) DrugBank (Approved, Biotech, ILLICIT, Investigational, Nutraceutical, Withdrawn), (8) ChemBank, (9) Anti-HIV NCI, (10) DrugLikness NCI, (11) Asinex Ltd., and (12) ChEBI (Grotthuss et al., ; Irwin and Shoichet, ). Virtual screening was carried out in three phases: (a) Structure based virtual screening (HTVS), (b) Standard Precision (SP), and (c) (XP); Top 20 scr […]


Using OWL reasoning to support the generation of novel gene sets for enrichment analysis

J Biomed Semantics
PMCID: 5813370
PMID: 29444698
DOI: 10.1186/s13326-018-0175-z

[…] tained in a GitHub repository []. The mapping was specified using a single tab separated values (TSV) file in which each line maps an RCV term to an OWL-EL mapping query that includes a term from GO, ChEBI, CL, Uberon or NCBI taxonomy []. Query results were used to generate a TSV file, allowing direct comparison of manual and automated mappings (see Table for an example). We used the GitHub API t […]


In vivo validation of anti malarial activity of crude extracts of Terminalia macroptera, a Malian medicinal plant

Malar J
PMCID: 5800286
PMID: 29402267
DOI: 10.1186/s12936-018-2223-7
call_split See protocol

[…] 2.10 []. Only natural product databases focused on plants were selected [i.e. Universal Natural Products Database (UNPD), KNApSAc, PlantCyc, Dictionary of Natural Products (DNP, CRC press, v26:1) and CheBI]. Database interrogation was performed following a three-step process. Already known compounds belonging to the plant species were first analysed, then those belonging to the botanical family, a […]


A computationally driven analysis of the polyphenol protein interactome

Sci Rep
PMCID: 5797150
PMID: 29396566
DOI: 10.1038/s41598-018-20625-5
call_split See protocol

[…] To query small molecule-protein interaction databases, the polyphenol list was searched in CHEBI database, containing ~100,000 entries, for corresponding CHEBI ID’s based on standardised SMILES. Polyphenol-protein interactions were mined from the STITCH, Pathway Commons and BindingDB databa […]


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ChEBI institution(s)
Cheminformatics and Metabolism, European Molecular Biology Laboratory—European Bioinformatics Institute (EMBL-EBI), Hinxton, UK; Manchester Centre for Integrative Systems Biology, University of Manchester, UK
ChEBI funding source(s)
ChEBI is funded by the BBSRC within the ‘Bioinformatics and Biological Resources’ fund [BB/K019783/1].

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