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3'-monoiodo-L-thyronine

PropertiesImage
MNX_IDMNXM731517 Image of MNXM731517
referencebiggM:CE2874
formulaC15H14INO4
global charge0
mol weight399.184
InChIKeySXQVOFSDWXYIRP-UHFFFAOYSA-N
InChIInChI=1S/C15H14INO4/c16-12-7-9(8-13(17)15(19)20)1-6-14(12)21-11-4-2-10(18)3-5-11/h1-7,13,18H,8,17H2,(H,19,20)
SMILES[NH3+]C(CC1=CC(I)=C(OC2=CC=C(O)C=C2)C=C1)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C15H14INO4/c16-12-7-9(8-13(17)15(19)20)1-6-14(12)21-11-4-2-10(18)3-5-11/h1-7,13,18H,8,17H2,(H,19,20)/t13? Image of MNXM731517
SMILES (mnx)[CH:1]1=[CH:6][C:14]([O:21][C:11]2=[CH:5][CH:3]=[C:10]([OH:18])[CH:2]=[CH:4]2)=[C:12]([I:16])[CH:7]=[C:9]1[CH2:8][CH:13]([C:15](=[O:19])[OH:20])[NH2:17]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:CE2874
biggM:CE2874
SXQVOFSDWXYIRP-UHFFFAOYSA-N 		3'-monoiodo-L-thyronine
hmdb:HMDB0244731
SXQVOFSDWXYIRP-UHFFFAOYSA-N 		2-Amino-3-(4-(4-hydroxyphenoxy)-3-iodophenyl)propanoic acid
2-Amino-3-(4-(4-hydroxyphenoxy)-3-iodophenyl)propanoate
2-amino-3-[4-(4-hydroxyphenoxy)-3-iodophenyl]propanoic acid
3-Iodothyronine
3-Monoiodothyronine
3-Monoiodothyronine, (DL-tyr)-isomer
3-Monoiodothyronine, (L-tyr)-isomer
3-Monoiodothyronine, 125I-labeled, (L-tyr)-isomer

vmhM:CE2874
vmhmetabolite:CE2874
SXQVOFSDWXYIRP-UHFFFAOYSA-N 		3-monoiodo-L-thyronine

biggM:M_CE2874
vmhM:M_CE2874 		secondary/obsolete/fantasy identifier