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TYI : Summary
Code 
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TYI
|
One-letter code 
|
Y
|
Molecule name 
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3,5-DIIODOTYROSINE
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Systematic names 
|
|
Formula 
|
C9 H9 I2 N O3
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Formal charge 
|
0
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Molecular weight 
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432.982 Da
|
SMILES 
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
Ic1cc(cc(I)c1O)CC(C(=O)O)N |
SMILES
|
CACTVS |
3.341 |
N[CH](Cc1cc(I)c(O)c(I)c1)C(O)=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1c(cc(c(c1I)O)I)CC(C(=O)O)N |
Canonical SMILES
|
CACTVS |
3.341 |
N[C@@H](Cc1cc(I)c(O)c(I)c1)C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1c(cc(c(c1I)O)I)C[C@@H](C(=O)O)N |
|
IUPAC InChI  | InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1 |
IUPAC InChI key  | NYPYHUZRZVSYKL-ZETCQYMHSA-N |
|
wwPDB Information |
Atom count 
|
24 (15 without Hydrogen)
|
Polymer type 
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Amino Acid
|
Type description 
|
L-PEPTIDE LINKING
|
Type code 
|
ATOMP
|
Is modified 
|
Yes
|
Standard parent 
|
TYR
|
Defined at 
|
1999-07-08
|
Last modified at 
|
2011-06-04
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Status 
|
Released
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Obsoleted 
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Not Assigned
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|