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CHEBI:305790 - thyroxine zwitterion
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ChEBI Name
thyroxine zwitterion
ChEBI ID
CHEBI:305790
Definition
The amino acid zwitterion formed from thyroxine by transfer of a proton from the carboxy group to the amino group. Major species at pH 7.3.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C15H11I4NO4
Net Charge
0
Average Mass
776.87000
Monoisotopic Mass
776.68669
InChI
InChI=1S/C15H11I4NO4/c16-
8-
4-
7(5-
9(17)
13(8)
21)
24-
14-
10(18)
1-
6(2-
11(14)
19)
3-
12(20)
15(22)
23/h1-
2,4-
5,12,21H,3,20H2,(H,22,23)
InChIKey
XUIIKFGFIJCVMT-UHFFFAOYSA-N
SMILES
[NH3+]C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C([O-])=O
ChEBI Ontology
Outgoing
thyroxine zwitterion (
CHEBI:305790
)
is a
amino acid zwitterion (
CHEBI:35238
)
thyroxine zwitterion (
CHEBI:305790
)
is tautomer of
thyroxine (
CHEBI:30660
)
Incoming
L
-thyroxine zwitterion (
CHEBI:58448
)
is a
thyroxine zwitterion (
CHEBI:305790
)
thyroxine (
CHEBI:30660
)
is tautomer of
thyroxine zwitterion (
CHEBI:305790
)
IUPAC Name
(2
S
)-2-azaniumyl-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate
Synonyms
Sources
2-Amino-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]-propionate
ChEMBL
thyroxine
UniProt
Last Modified
14 June 2021