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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:3,3'-diiodo-L-thyronine sulfate
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Accession:CHEBI:35431 term browser browse the term
Definition:A O-sulfoamino acid that has formula C15H13I2NO7S.
Synonyms:related_synonym: 3,3'-T2 sulfate;   3,3'-T2S;   3,3'-diiodothyronine-4-sulfate;   3-iodo-O-[3-iodo-4-(sulfooxy)phenyl]-L-tyrosine;   Formula=C15H13I2NO7S;   InChI=1S/C15H13I2NO7S/c16-10-5-8(6-12(18)15(19)20)1-3-13(10)24-9-2-4-14(11(17)7-9)25-26(21,22)23/h1-5,7,12H,6,18H2,(H,19,20)(H,21,22,23)/t12-/m0/s1;   InChIKey=NBAZIIRGURJZJA-LBPRGKRZSA-N;   SMILES=N[C@@H](Cc1ccc(Oc2ccc(OS(O)(=O)=O)c(I)c2)c(I)c1)C(O)=O
 xref: Beilstein:8167585;   CAS:64192-57-0


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      chemical role 19422
        catalyst 8293
          sulfuric acid 8242
            sulfuric acid derivative 8242
              organic sulfate 2274
                O-sulfoamino acid 0
                  3,3'-diiodo-L-thyronine sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    main group molecular entity 19759
                      s-block molecular entity 19628
                        hydrogen molecular entity 19614
                          hydrides 19087
                            organic hydride 18656
                              organic fundamental parent 18656
                                hydrocarbon 18396
                                  cyclic hydrocarbon 17214
                                    monocyclic hydrocarbon 6141
                                      annulene 5792
                                        aromatic annulene 5792
                                          benzene 5796
                                            alkylbenzene 3506
                                              methylbenzene 3370
                                                toluene 3242
                                                  benzyl group 2649
                                                    phenylalanine 2649
                                                      phenylalanine derivative 2615
                                                        tyrosine derivative 460
                                                          thyronine 453
                                                            iodothyronine 453
                                                              3,3'-diiodothyronine 2
                                                                3,3'-diiodo-L-thyronine 0
                                                                  3,3'-diiodo-L-thyronine sulfate 0
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