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ebi-chebi / ChEBI

Chemical Entities of Biological Interest (ChEBI) is a freely available dictionary of molecular entities focused on ‘small’ chemical compounds.
https://www.ebi.ac.uk/chebi
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Add entry for erythromycin,[n-methyl-14c] #3680

Closed matthiaskoenig closed 5 years ago

matthiaskoenig commented 5 years ago

Currently there is no entry in CHEBI for Erythromycin,[n-methyl-14c]. This substance is applied in the erythromycin breath test and is a modification of erythromycin A (https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:42355)

The erythromycin breath test (ERMBT) is a method used to measure metabolism (oxidation and elimination from the system) by a part of the cytochrome P450 system. Erythromycin is tagged with carbon-14 and given as an intravenous injection; after 20 minutes the subject blows up a balloon and the carbon dioxide exhaled that is tagged with carbon-14 shows the activity of the CYP3A4 isoenzyme on the erythromycin.

https://en.wikipedia.org/wiki/Erythromycin_breath_test

The substance information is available from: INCHIkey: ULGZDMOVFRHVEP-WCOQTRSGSA-N https://pubchem.ncbi.nlm.nih.gov/compound/102601292 https://www.alfa-chemistry.com/cas_82343-12-2.htm

See references here https://www.ncbi.nlm.nih.gov/pubmed/?term=%22erythromycin+breath+test%22%5Btitle%5D

Best Matthias

amalik01 commented 5 years ago

Hi, An entry has now been created (CHEBI:145339) and should become visible on the ChEBI website by tomorrow. By reading the literature, it seems that only one of the methyl groups of erythromycin has a 14C label instead of both methyl groups hence the structure which you are referring to is incorrect. The correct InChi is ULGZDMOVFRHVEP-RFAHSBMDSA-N . I hope this helps.