CHEBI:28774 - 3,3',5'-triiodothyronine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3,3',5'-triiodothyronine
ChEBI ID CHEBI:28774
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1365, CHEBI:19863
Supplier Information
Download Molfile XML SDF
Formula C15H12I3NO4
Net Charge 0
Average Mass 650.97353
Monoisotopic Mass 650.79004
InChI InChI=1S/C15H12I3NO4/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8/h1-3,5-6,12,20H,4,19H2,(H,21,22)
InChIKey HZCBWYNLGPIQRK-UHFFFAOYSA-N
SMILES NC(Cc1ccc(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3,3',5'-triiodothyronine (CHEBI:28774) has role human metabolite (CHEBI:77746)
3,3',5'-triiodothyronine (CHEBI:28774) is a iodothyronine (CHEBI:24864)
Incoming 3,3',5'-triiodo-D-thyronine (CHEBI:232361) is a 3,3',5'-triiodothyronine (CHEBI:28774)
3,3',5'-triiodo-L-thyronine (CHEBI:11684) is a 3,3',5'-triiodothyronine (CHEBI:28774)
IUPAC Name
3,3',5'-triiodothyronine
Synonyms Sources
3,3',5'-Triiodothyronine KEGG COMPOUND
4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenylalanine IUPAC
O-(4-hydroxy-3,5-diiodophenyl)-3-iodotyrosine IUPAC
Reverse triiodothyronine ChemIDplus
Triiodothyronine, reverse KEGG COMPOUND
Manual Xref Database
C07639 KEGG COMPOUND
View more database links
Registry Number Type Source
2823534 Beilstein Registry Number Beilstein
Last Modified
24 October 2024
General Comment
2024-10-24 Please note that this is the entry for material with unspecified stereochemistry. There are separate entries for D- and L- isomers of 3,3',5'-triiodothyronine.