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3,3'-diiodo-L-thyronine sulfate

MNXM164192 is deprecated and replaced by MNXM3164
PropertiesImage
MNX_IDMNXM3164 Image of MNXM3164
referencechebi:176515
formulaC15H12I2NO7S
global charge-1
mol weight604.136
InChIKeyNBAZIIRGURJZJA-LBPRGKRZSA-M
InChIInChI=1S/C15H13I2NO7S/c16-10-5-8(6-12(18)15(19)20)1-3-13(10)24-9-2-4-14(11(17)7-9)25-26(21,22)23/h1-5,7,12H,6,18H2,(H,19,20)(H,21,22,23)/p-1/t12-/m0/s1
SMILES[NH3+][C@@H](CC1=CC(I)=C(OC2=CC=C(OS(=O)(=O)[O-])C(I)=C2)C=C1)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C15H13I2NO7S/c16-10-5-8(6-12(18)15(19)20)1-3-13(10)24-9-2-4-14(11(17)7-9)25-26(21,22)23/h1-5,7,12H,6,18H2,(H,19,20)(H,21,22,23)/t12-/m0/s1 Image of MNXM3164
SMILES (mnx)[CH:1]1=[CH:3][C:13]([O:24][C:9]2=[CH:7][C:11]([I:17])=[C:14]([O:25][S:26]([OH:21])(=[O:22])=[O:23])[CH:4]=[CH:2]2)=[C:10]([I:16])[CH:5]=[C:8]1[CH2:6][C@@H:12]([C:15](=[O:19])[OH:20])[NH2:18]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:176515
chebi:176515
NBAZIIRGURJZJA-LBPRGKRZSA-M 		3,3'-diiodo-L-thyronine sulfate
3,3'-diiodo-L-thyronine sulfate(1-)

bigg.metabolite:CE2870
biggM:CE2870
NBAZIIRGURJZJA-LBPRGKRZSA-M 		3,3'-diiodo-L-thyronine 4'-O-sulfate

reactome:R-ALL-176519
reactomeM:R-ALL-176519
CHEBI:35431
chebi:35431
NBAZIIRGURJZJA-LBPRGKRZSA-N 		3,3'-diiodo-L-thyronine sulfate
3,3'-T2 sulfate
3,3'-T2S
3,3'-diiodothyronine-4-sulfate
3-iodo-O-[3-iodo-4-(sulfooxy)phenyl]-L-tyrosine

vmhM:CE2870
vmhmetabolite:CE2870
NBAZIIRGURJZJA-LBPRGKRZSA-N 		3,3-diiodo-L-thyronine 4-O-sulfate

biggM:M_CE2870
vmhM:M_CE2870 		secondary/obsolete/fantasy identifier