thyroxine sulfate

Chemical Formula:

C₁₅H₁₀NO₇SI₄

Molecular Weight:

855.924 Daltons

Monoisotopic Mass:

857.6513194351 Daltons

SMILES:

C2(C(I)=C(OC1(C=C(C(OS(=O)(=O)[O-])=C(C=1)I)I))C(=CC=2CC(C(=O)[O-])[N+])I)

InChI:

1S/C15H11I4NO7S/c16-8-1-6(3-12(20)15(21)22)2-9(17)13(8)26-7-4-10(18)14(11(19)5-7)27-28(23,24)25/h1-2,4-5,12H,3,20H2,(H,21,22)(H,23,24,25)/p-1/t12-/m0/s1

InChIKey:

QYXIJUZWSSQICT-LBPRGKRZSA-M

Synonyms

T4 sulfate
thyroxine-4-sulfate
L-tyrosine, O-(3,5-diiodo-4-(sulfooxy)phenyl)-3,5-diiodo-

Databases

MetaCyc: CPD-11407

PubChem (CID): 90657726

ChEBI: 58910

HMDB: HMDB02728

MetaNetX: MNXM6452