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TYI : Summary
Code
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TYI
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One-letter code
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Y
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Molecule name
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3,5-DIIODOTYROSINE
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Systematic names
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Formula
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C9 H9 I2 N O3
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Formal charge
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0
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Molecular weight
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432.982 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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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 |
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wwPDB Information |
Atom count
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24 (15 without Hydrogen)
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Polymer type
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Amino Acid
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Type description
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L-PEPTIDE LINKING
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Type code
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ATOMP
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Is modified
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Yes
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Standard parent
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TYR
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Defined at
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1999-07-08
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Last modified at
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2023-11-03
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Status
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Released
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Obsoleted
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Not Assigned
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