CHEBI:145228 - triiodothyronine glucuronide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name triiodothyronine glucuronide
ChEBI ID CHEBI:145228
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
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Formula C21H20I3NO10
Net Charge 0
Average Mass 827.101
Monoisotopic Mass 826.82213
InChI InChI=1S/C21H20I3NO10/c22-9-6-8(33-17-10(23)3-7(4-11(17)24)5-12(25)19(29)30)1-2-13(9)34-21-16(28)14(26)15(27)18(35-21)20(31)32/h1-4,6,12,14-16,18,21,26-28H,5,25H2,(H,29,30)(H,31,32)/t12-,14-,15-,16+,18-,21+/m0/s1
InChIKey YYFGGGCINNGOLE-ZDXOGFQLSA-N
SMILES IC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC(OC3=C(I)C=C(C[C@H](N)C(O)=O)C=C3I)=C1
ChEBI Ontology
Outgoing triiodothyronine glucuronide (CHEBI:145228) is a phenylalanine derivative (CHEBI:25985)
Manual Xref Database
HMDB0010346 HMDB accession
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