3,5,3'-triiodo-L-thyronine acyl β-D-glucuronide

Chemical Formula:

C₂₁H₁₉NO₁₀I₃

Molecular Weight:

826.095 Daltons

Monoisotopic Mass:

826.8221248681999 Daltons

SMILES:

C([O-])(=O)C1(OC(C(O)C(O)C(O)1)OC(=O)C(N)CC2(=CC(I)=C(C(I)=C2)OC3(=CC(I)=C(O)C=C3)))

InChI:

1S/C21H20I3NO10/c22-9-6-8(1-2-13(9)26)33-17-10(23)3-7(4-11(17)24)5-12(25)20(32)35-21-16(29)14(27)15(28)18(34-21)19(30)31/h1-4,6,12,14-16,18,21,26-29H,5,25H2,(H,30,31)/p-1/t12-,14-,15-,16+,18-,21-/m0/s1

InChIKey:

LQMBVWCQWFEPFK-DKBYMCRTSA-M

Synonyms

3,5,3'-triiodothyronine acyl β-D-glucuronide

Databases

MetaCyc: CPD-11402

PubChem (CID): 90659330

Seed: cpd22932

MetaNetX: MNXM14481