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CHEBI:533015 - wrong xref and possible name change #4561

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alanbridge opened this issue Oct 23, 2024 · 0 comments
Open

CHEBI:533015 - wrong xref and possible name change #4561

alanbridge opened this issue Oct 23, 2024 · 0 comments
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@alanbridge
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Hi

https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:533015

has this (manual) xref

https://biocyc.org/compound?orgid=META&id=CPD-10813

The InChIKeys don't match though.

ChEBI - AUYYCJSJGJYCDS-LBPRGKRZSA-N
MetaCyc - HZCBWYNLGPIQRK-LBPRGKRZSA-N

The names also suggest different connectivity

ChEBI - 3,3',5-triiodo-L-thyronine zwitterion
MetaCyc - 3,3',5'-triiodo-L-thyronine

Could you

i) remove the xref

ii) consider changing the ChEBI name
from
3,3',5-triiodo-L-thyronine zwitterion
to
3,5,3'-triiodo-L-thyronine zwitterion
(i.e. number ring by ring)

and if so please ask UniProt to change theirs too, and

iii) consider running a check for incoherent InChIKeys on all curated xrefs and remove any that fail?

All the best, Alan

@amalik01 amalik01 self-assigned this Oct 29, 2024
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