Marvin  09271016092D          

 23 24  0  0  1  0            999 V2000
    8.6734   -6.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8082   -5.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5179   -5.2716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8082   -6.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6734   -5.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3831   -6.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2276   -6.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9374   -6.9539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2483   -5.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5179   -6.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2276   -5.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0928   -5.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5385   -5.7185    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3831   -5.2716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0928   -6.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8025   -5.2716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9580   -5.7185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0722   -6.9539    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    7.9374   -5.2716    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    9.3831   -7.7688    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    5.0722   -5.2716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5385   -6.5334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2483   -4.4567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  8  1  1  0  0  0  0
  3  2  2  0  0  0  0
 21  2  1  0  0  0  0
  4  2  1  0  0  0  0
 11  3  1  0  0  0  0
 10  4  2  0  0  0  0
 18  4  1  0  0  0  0
 14  5  2  0  0  0  0
 19  5  1  0  0  0  0
 15  6  1  0  0  0  0
 20  6  1  0  0  0  0
  8  7  1  0  0  0  0
 10  7  1  0  0  0  0
 11  7  2  0  0  0  0
 13  9  1  0  0  0  0
 17  9  1  0  0  0  0
 23  9  2  0  0  0  0
 15 12  2  0  0  0  0
 16 12  1  0  0  0  0
 14 12  1  0  0  0  0
 16 13  1  0  0  0  0
 13 22  1  1  0  0  0
M  END
> <ID>
CHEBI:18258

> <NAME>
3,3',5-triiodo-L-thyronine

> <DEFINITION>
An iodothyronine compound having iodo substituents at the 3-, 3'- and 5-positions. Although some is produced in the thyroid, most of the 3,3',5-triiodo-L-thyronine in the body is generated by mono-deiodination of L-thyroxine in the peripheral tissues. Its metabolic activity is about 3 to 5 times that of L-thyroxine. The sodium salt is used in the treatment of hypothyroidism.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:11701; CHEBI:45840; CHEBI:11702; CHEBI:9722; CHEBI:13059; CHEBI:19894

> <SYNONYM>
Triiodothyronine; T3; T3; O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosine; Liothyronine; L-T3; L-3,5,3'-Triiodothyronine; 4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-L-phenylalanine; 3,5,3'TRIIODOTHYRONINE; 3,5,3'-Triiodothyronine; 3,5,3'-Triiodo-L-thyronine

> <IUPAC_NAME>
3,3',5-triiodo-L-thyronine

> <INN>
liotironina; liothyroninum; liothyronine; liothyronine

> <BRAND_NAME>
Tresitope; Tertroxin

> <FORMULA>
C15H12I3NO4

> <MASS>
650.97350

> <MONOISOTOPIC_MASS>
650.79004

> <CHARGE>
0

> <SMILES>
N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O

> <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

> <INCHIKEY>
AUYYCJSJGJYCDS-LBPRGKRZSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2710227

> <CAS_REGISTRY_NUMBER>
6893-02-3

> <REAXYS_REGISTRY_NUMBER>
2710227

> <CHEMIDPLUS>
6893-02-3

> <DRUGBANK_ACCESSION>
DB00279

> <KEGG_COMPOUND_ACCESSION>
C02465

> <KEGG_DRUG_ACCESSION>
D08128

> <LINCS_ACCESSION>
LSM-3991

> <METACYC_ACCESSION>
CPD-10813

> <PDBECHEM_ACCESSION>
T3

> <WIKIPEDIA_ACCESSION>
Triiodothyronine

> <PUBMED_CITATION>
11738632; 15206581; 19339791

$$$$