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tiratricol

MNXM8090 is deprecated and here replaced by MNXM731200
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM731200 Image of MNXM731200
referencechebi:40021
formulaC14H9I3O4
global charge0
mol weight621.934
InChIKeyUOWZUVNAGUAEQC-UHFFFAOYSA-N
InChIInChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)
SMILESO=C(O)CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1
MNX internals
InChI (mnx)InChI=1/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20) Image of MNXM731200
SMILES (mnx)[CH:1]1=[CH:2][C:12]([OH:18])=[C:9]([I:15])[CH:6]=[C:8]1[O:21][C:14]1=[C:10]([I:16])[CH:3]=[C:7]([CH2:5][C:13](=[O:19])[OH:20])[CH:4]=[C:11]1[I:17]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:40021
chebi:40021
UOWZUVNAGUAEQC-UHFFFAOYSA-N 		tiratricol
2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid
3,3',5-triiodothyroacetic acid
4-(4-hydroxy-3-iodophenoxy)-3,5-diiodobenzeneacetic acid
Emcitate
Nidolin
T3A
TRIAC
Teatrois
Tiracana
Triax
[(4-hydroxy-3-iodo-4-phenoxy)-3,5-diiodophenyl]acetic acid
[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid
tiratricolum
triiodothyroacetic acid

metacyc.compound:CPD-11404
metacycM:CPD-11404
seed.compound:cpd22934
seedM:cpd22934
UOWZUVNAGUAEQC-UHFFFAOYSA-M 		3,3',5-triiodothyroacetate
3,3',5-triiodothyroacetic acid
Tiracana
Tiratricol
Triac

bigg.metabolite:CE2883
biggM:CE2883
UOWZUVNAGUAEQC-UHFFFAOYSA-M 		3,5,3'-triiodothyroacetate

vmhM:CE2883
vmhmetabolite:CE2883
UOWZUVNAGUAEQC-UHFFFAOYSA-M 		3,5,3-triiodothyroacetate

kegg.drug:D07214
keggD:D07214
UOWZUVNAGUAEQC-UHFFFAOYSA-N 		Tiratricol (INN)
Tiracana (TN)

biggM:M_CE2883
keggD:M_D07214
seedM:M_cpd22934
vmhM:M_CE2883 		secondary/obsolete/fantasy identifier