T3

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Summary

Name:3,5,3'TRIIODOTHYRONINE
Synonyms:T3
THYROID HORMONE; LIOTHYRONINE
Formula:C15 H12 I3 N O4
Formal charge:0
Molecular weight:650.973 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosine
OpenEye OEToolkits1.5.0(2S)-2-amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(N)Cc2cc(I)c(Oc1cc(I)c(O)cc1)c(I)c2
SMILES_CANONICALCACTVS3.341N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O
SMILESCACTVS3.341N[CH](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(c(cc1Oc2c(cc(cc2I)C[C@@H](C(=O)O)N)I)I)O
SMILESOpenEye OEToolkits1.5.0c1cc(c(cc1Oc2c(cc(cc2I)CC(C(=O)O)N)I)I)O
InChIInChI1.03InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
InChIKeyInChI1.03AUYYCJSJGJYCDS-LBPRGKRZSA-N
167518
PDB entries from 2020-08-12