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3,3'-diiodothyronine

PropertiesImage
MNX_IDMNXM732210 Image of MNXM732210
referencechebi:35430
formulaC15H13I2NO4
global charge0
mol weight525.08
InChIKeyCPCJBZABTUOGNM-UHFFFAOYSA-N
InChIInChI=1S/C15H13I2NO4/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21/h1-5,7,12,19H,6,18H2,(H,20,21)
SMILESNC(CC1=CC(I)=C(OC2=CC=C(O)C(I)=C2)C=C1)C(=O)O
MNX internals
InChI (mnx)InChI=1/C15H13I2NO4/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21/h1-5,7,12,19H,6,18H2,(H,20,21)/t12? Image of MNXM732210
SMILES (mnx)[CH:1]1=[CH:4][C:14]([O:22][C:9]2=[CH:7][C:10]([I:16])=[C:13]([OH:19])[CH:3]=[CH:2]2)=[C:11]([I:17])[CH:5]=[C:8]1[CH2:6][CH:12]([C:15](=[O:20])[OH:21])[NH2:18]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-176486
reactomeM:R-ALL-176486
CHEBI:35430
chebi:35430
CPCJBZABTUOGNM-UHFFFAOYSA-N 		3,3'-diiodothyronine
2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]propanoic acid
3,3'-T2
O-(4-hydroxy-3-iodophenyl)-3-iodotyrosine
hmdb:HMDB0246002
CPCJBZABTUOGNM-UHFFFAOYSA-N 		3,3'-Diiodo-L-thyronine
2-Amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]propanoate
2-Amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]propanoic acid
2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]propanoic acid
3,3'-Diiodothyronine, (DL)-isomer
3,3'-Diiodothyronine, (L)-isomer
3,3'-Diiodothyronine, (L)-isomer, 125I-labeled
3,3'-T2
3,3'-diiodothyronine
O-(4-Hydroxy-3-iodophenyl)-3-iodotyrosine

sabiork.compound:23697
sabiorkM:23697
CPCJBZABTUOGNM-UHFFFAOYSA-N 		3,3'-Diiodothyronine