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T3 : Summary
Code
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T3
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One-letter code
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X
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Molecule name
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3,5,3'TRIIODOTHYRONINE
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Synonyms
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T3
THYROID HORMONE
LIOTHYRONINE
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Systematic names
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Formula
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C15 H12 I3 N O4
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Formal charge
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0
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Molecular weight
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650.973 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(O)C(N)Cc2cc(I)c(Oc1cc(I)c(O)cc1)c(I)c2 |
SMILES
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CACTVS |
3.341 |
N[CH](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(c(cc1Oc2c(cc(cc2I)CC(C(=O)O)N)I)I)O |
Canonical SMILES
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CACTVS |
3.341 |
N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(c(cc1Oc2c(cc(cc2I)C[C@@H](C(=O)O)N)I)I)O |
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IUPAC InChI | InChI=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 |
IUPAC InChI key | AUYYCJSJGJYCDS-LBPRGKRZSA-N |
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wwPDB Information |
Atom count
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35 (23 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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1999-07-12
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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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