3,3'-diiodo-L-thyronine
AlkaPlorer ID: AK088511
Synonym: '4604-41-5', 'O-(4-hydroxy-3-iodophenyl)-3-iodo-L-tyrosine', '(2S)-2-amino-3-4-(4-hydroxy-3-iodophenoxy)-3-iodophenylpropanoic acid', '70-40-6', "3,3'-DEIODO-THYROXINE"
IUPAC Name: (2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]propanoic acid
Structure
SMILES: N[C@@H](CC1=CC=C(OC2=CC=C(O)C(I)=C2)C(I)=C1)C(=O)O
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
Reference
A community-driven global reconstruction of human metabolism
PubChem CID: 107564
LOTUS: LTS0230834
SuperNatural Ⅲ: SN0051811-02
NPASS: NPC241086
Source
Properties Information
Molecule Weight: 525.0800000000002
TPSA？: 92.78000000000002
MolLogP？: 3.3481000000000014
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Proliferating cell nuclear antigen | IC50 | 50000.0 | nM | 10.1016/j.bmc.2013.01.022 |