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3,3'-diiodo-L-thyronine

PropertiesImage
MNX_IDMNXM732211 Image of MNXM732211
referencechebi:176514
formulaC15H13I2NO4
global charge0
mol weight525.08
InChIKeyCPCJBZABTUOGNM-LBPRGKRZSA-N
InChIInChI=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
SMILES[NH3+][C@@H](CC1=CC(I)=C(OC2=CC=C(O)C(I)=C2)C=C1)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM732211
SMILES (mnx)[CH:1]1=[CH:4][C:14]([O:22][C:9]2=[CH:7][C:10]([I:16])=[C:13]([OH:19])[CH:3]=[CH:2]2)=[C:11]([I:17])[CH:5]=[C:8]1[CH2:6][C@@H:12]([C:15](=[O:20])[OH:21])[NH2:18]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)15
in models (compartimentalized) 11
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:176514
chebi:176514
CPCJBZABTUOGNM-LBPRGKRZSA-N 		3,3'-diiodo-L-thyronine
3,3'-diiodo-L-thyronine zwitterion

seed.compound:cpd22927
seedM:cpd22927
CPCJBZABTUOGNM-LBPRGKRZSA-N 		2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]propanoic acid
3,3'-T2
3,3'-diiodothyronine
O-(4-hydroxy-3-iodophenyl)-3-iodotyrosine
tyrosine, O-(4-hydroxy-3-iodophenyl)-3-iodo-

bigg.metabolite:CE2866
biggM:CE2866
CPCJBZABTUOGNM-LBPRGKRZSA-N 		3,3'-diiodo-L-thyronine

CHEBI:45698
chebi:45698
CPCJBZABTUOGNM-LBPRGKRZSA-N 		3,3'-diiodo-L-thyronine
(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]propanoic acid
3,3'-DEIODO-THYROXINE
O-(4-hydroxy-3-iodophenyl)-3-iodo-L-tyrosine

metacyc.compound:CPD-11395
metacycM:CPD-11395
CPCJBZABTUOGNM-LBPRGKRZSA-N 		3,3'-diiodothyronine
2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]propanoic acid
3,3'-T2
O-(4-hydroxy-3-iodophenyl)-3-iodotyrosine
tyrosine, O-(4-hydroxy-3-iodophenyl)-3-iodo-

vmhM:CE2866
vmhmetabolite:CE2866
CPCJBZABTUOGNM-LBPRGKRZSA-N 		3,3-diiodo-L-thyronine
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol

envipath:...96e4bf5a7186
envipathM:...96e4bf5a7186
CPCJBZABTUOGNM-LBPRGKRZSA-M 		compound 0042215

chebi:35429
chebi:45695
biggM:M_CE2866
seedM:M_cpd22927
vmhM:M_CE2866 		secondary/obsolete/fantasy identifier