Search MNXref
 Feedback

L-thyroxine sulfate

MNXM6452 is deprecated and here replaced by MNXM737745
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM737745 Image of MNXM737745
referencechebi:176512
formulaC15H10I4NO7S
global charge-1
mol weight855.928
InChIKeyQYXIJUZWSSQICT-LBPRGKRZSA-M
InChIInChI=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
SMILES[NH3+][C@@H](CC1=CC(I)=C(OC2=CC(I)=C(OS(=O)(=O)[O-])C(I)=C2)C(I)=C1)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/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)/t12-/m0/s1 Image of MNXM737745
SMILES (mnx)[CH:1]1=[C:6]([CH2:3][C@@H:12]([C:15](=[O:21])[OH:22])[NH2:20])[CH:2]=[C:9]([I:17])[C:13]([O:26][C:7]2=[CH:4][C:10]([I:18])=[C:14]([O:27][S:28]([OH:23])(=[O:24])=[O:25])[C:11]([I:19])=[CH:5]2)=[C:8]1[I:16]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:176512
chebi:176512
QYXIJUZWSSQICT-LBPRGKRZSA-M 		L-thyroxine sulfate
(2S)-2-azaniumyl-3-{4-[3,5-diiodo-4-(sulfonatooxy)phenoxy]-3,5-diiodophenyl}propanoate
L-thyroxine sulfate(1-)

seed.compound:cpd22937
seedM:cpd22937
QYXIJUZWSSQICT-LBPRGKRZSA-M 		L-tyrosine, O-(3,5-diiodo-4-(sulfooxy)phenyl)-3,5-diiodo-
T4 sulfate
thyroxine sulfate
thyroxine-4-sulfate
hmdb:HMDB0002728
QYXIJUZWSSQICT-LBPRGKRZSA-N 		Thyroxine sulfate
(2S)-2-Amino-3-{4-[3,5-diiodo-4-(sulfooxy)phenoxy]-3,5-diiodophenyl}propanoate
(2S)-2-Amino-3-{4-[3,5-diiodo-4-(sulphooxy)phenoxy]-3,5-diiodophenyl}propanoate
(2S)-2-Amino-3-{4-[3,5-diiodo-4-(sulphooxy)phenoxy]-3,5-diiodophenyl}propanoic acid
(2S)-2-amino-3-{4-[3,5-diiodo-4-(sulfooxy)phenoxy]-3,5-diiodophenyl}propanoic acid
3,5,3',5'-Tetraiodo-L-thyronine 4'-O-sulfate
3,5,3',5'-Tetraiodo-L-thyronine 4'-O-sulphate
3,5,3',5'-Tetraiodo-L-thyronine 4-O-sulfate
3,5,3',5'-Tetraiodo-L-thyronine 4-O-sulphate
3-[4-(4-Hydroxy-3,5-diiodophenoxy-4-O-sulfate)-3,5-diiodophenyl]-L-alanine
3-[4-(4-Hydroxy-3,5-diiodophenoxy-4-O-sulphate)-3,5-diiodophenyl]-L-alanine
L-Thyroxine 4'-O-sulfate
L-Thyroxine 4'-O-sulphate
O-(4-Hydroxy-3,5-diiodophenyl-4-O-sulfate)-3,5-diiodo-L-tyrosine
O-(4-Hydroxy-3,5-diiodophenyl-4-O-sulphate)-3,5-diiodo-L-tyrosine
T4 Sulfate
T4S
Thyroxine sulfuric acid
Thyroxine sulphate
Thyroxine sulphuric acid
Thyroxine-4-sulfate
thyroxine sulfic acid

CHEBI:58910
chebi:58910
QYXIJUZWSSQICT-UHFFFAOYSA-M 		thyroxine sulfate
2-azaniumyl-3-{4-[3,5-diiodo-4-(sulfonatooxy)phenoxy]-3,5-diiodophenyl}propanoate
thyroxine sulfate(1-)

metacyc.compound:CPD-11407
metacycM:CPD-11407
QYXIJUZWSSQICT-LBPRGKRZSA-M 		thyroxine sulfate
L-tyrosine, O-(3,5-diiodo-4-(sulfooxy)phenyl)-3,5-diiodo-
T4 sulfate
thyroxine-4-sulfate

CHEBI:53508
chebi:53508
QYXIJUZWSSQICT-UHFFFAOYSA-N 		thyroxine sulfate
T4 Sulfate
T4S
Thyroxine-4-sulfate
thyroxine 4-sulfate

hmdb:HMDB02728
seedM:M_cpd22937 		secondary/obsolete/fantasy identifier