L-thyroxine acyl β-D-glucuronide
Chemical Formula:
C21H18NO10I4
Molecular Weight:
951.992 Daltons
Monoisotopic Mass:
952.7187678360999 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(I)=C3)))
InChI:
1S/C21H19I4NO10/c22-8-4-7(5-9(23)13(8)27)34-17-10(24)1-6(2-11(17)25)3-12(26)20(33)36-21-16(30)14(28)15(29)18(35-21)19(31)32/h1-2,4-5,12,14-16,18,21,27-30H,3,26H2,(H,31,32)/p-1/t12-,14-,15-,16+,18-,21-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-11401
PubChem (CID):
90657991
Seed:
cpd22931
MetaNetX:
MNXM18962