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3',5'-diiodo-L-thyronine

MNXM9935 is deprecated and here replaced by MNXM741805
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM741805 Image of MNXM741805
referencebiggM:CE2872
formulaC15H13I2NO4
global charge0
mol weight525.08
InChIKeyLROTZSUGDZPWDN-CYBMUJFWSA-N
InChIInChI=1S/C15H13I2NO4/c16-11-6-10(7-12(17)14(11)19)22-9-3-1-8(2-4-9)5-13(18)15(20)21/h1-4,6-7,13,19H,5,18H2,(H,20,21)/t13-/m1/s1
SMILES[NH3+][C@H](CC1=CC=C(OC2=CC(I)=C(O)C(I)=C2)C=C1)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C15H13I2NO4/c16-11-6-10(7-12(17)14(11)19)22-9-3-1-8(2-4-9)5-13(18)15(20)21/h1-4,6-7,13,19H,5,18H2,(H,20,21)/t13-/m1/s1 Image of MNXM741805
SMILES (mnx)[CH:1]1=[CH:3][C:9]([O:22][C:10]2=[CH:6][C:11]([I:16])=[C:14]([OH:19])[C:12]([I:17])=[CH:7]2)=[CH:4][CH:2]=[C:8]1[CH2:5][C@H:13]([C:15](=[O:20])[OH:21])[NH2:18]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:CE2872
biggM:CE2872
LROTZSUGDZPWDN-CYBMUJFWSA-N 		3',5'-diiodo-L-thyronine

vmhM:CE2872
vmhmetabolite:CE2872
LROTZSUGDZPWDN-CYBMUJFWSA-N 		3,5-diiodo-L-thyronine

biggM:M_CE2872
vmhM:M_CE2872 		secondary/obsolete/fantasy identifier