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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:45698 - 3,3'-diiodo-
L
-thyronine
Main
ChEBI Ontology
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ChEBI Name
3,3'-diiodo-
L
-thyronine
ChEBI ID
CHEBI:45698
ChEBI ASCII Name
3,3'-diiodo-L-thyronine
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:35429, CHEBI:45695
Supplier Information
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Formula
C15H13I2NO4
Net Charge
0
Average Mass
525.07700
Monoisotopic Mass
524.89340
InChI
InChI=1S/C15H13I2NO4/c16-
10-
7-
9(2-
3-
13(10)
19)
22-
14-
4-
1-
8(5-
11(14)
17)
6-
12(18)
15(20)
21/h1-
5,7,12,19H,6,18H2,(H,20,21)
/t12-
/m0/s1
InChIKey
CPCJBZABTUOGNM-LBPRGKRZSA-N
SMILES
N[C@@H](Cc1ccc(Oc2ccc(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 (Br
o
nsted acid).
(via
organic amino compound
)
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted 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'-diiodo-
L
-thyronine (
CHEBI:45698
)
has role
human metabolite (
CHEBI:77746
)
3,3'-diiodo-
L
-thyronine (
CHEBI:45698
)
is a
3,3'-diiodothyronine (
CHEBI:35430
)
Incoming
3,3'-diiodo-
L
-thyronine sulfate (
CHEBI:35431
)
has functional parent
3,3'-diiodo-
L
-thyronine (
CHEBI:45698
)
IUPAC Name
3,3'-diiodo-
L
-thyronine
Synonyms
Sources
(2
S
)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]propanoic acid
ChEBI
3,3'-DEIODO-THYROXINE
PDBeChem
O
-(4-hydroxy-3-iodophenyl)-3-iodo-
L
-tyrosine
IUPAC
Manual Xref
Database
T33
PDBeChem
View more database links
Registry Numbers
Types
Sources
2776147
Beilstein Registry Number
Beilstein
4604-41-5
CAS Registry Number
ChemIDplus
Last Modified
10 March 2014