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3,3',5'-triiodo-L-thyronine

PropertiesImage
MNX_IDMNXM1102093 Image of MNXM1102093
referencechebi:57261
formulaC15H12I3NO4
global charge0
mol weight650.976
InChIKeyHZCBWYNLGPIQRK-LBPRGKRZSA-N
InChIInChI=1S/C15H12I3NO4/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8/h1-3,5-6,12,20H,4,19H2,(H,21,22)/t12-/m0/s1
SMILES[NH3+][C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C=C1)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C15H12I3NO4/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8/h1-3,5-6,12,20H,4,19H2,(H,21,22)/t12-/m0/s1 Image of MNXM1102093
SMILES (mnx)[CH:1]1=[CH:2][C:13]([O:23][C:8]2=[CH:5][C:10]([I:17])=[C:14]([OH:20])[C:11]([I:18])=[CH:6]2)=[C:9]([I:16])[CH:3]=[C:7]1[CH2:4][C@@H:12]([C:15](=[O:21])[OH:22])[NH2:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)20
in models (compartimentalized) 15
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57261
chebi:57261
HZCBWYNLGPIQRK-LBPRGKRZSA-N 		3,3',5'-triiodo-L-thyronine
(2S)-2-azaniumyl-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]propanoate
3,3',5'-triiodo-L-thyronine zwitterion

bigg.metabolite:CE2754
biggM:CE2754
HZCBWYNLGPIQRK-LBPRGKRZSA-N 		3,3',5' - triiodothyronine

seed.compound:cpd19082
seedM:cpd19082
HZCBWYNLGPIQRK-LBPRGKRZSA-N 		3,3',5'-Triiodo-L-thyronine
3,3',5'-Triiodothyronine
3,3',5'-triiodo-L-thyronine
4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenylalanine
O-(4-hydroxy-3,5-diiodophenyl)-3-iodotyrosine
Reverse triiodothyronine
rT3
reverse triiodothyronine
triiodothyronine, reverse

kegg.compound:C07639
keggC:C07639
HZCBWYNLGPIQRK-LBPRGKRZSA-N 		3,3',5'-Triiodo-L-thyronine
3,3',5'-Triiodothyronine
Reverse triiodothyronine
rT3

CHEBI:11684
chebi:11684
HZCBWYNLGPIQRK-LBPRGKRZSA-N 		3,3',5'-triiodo-L-thyronine
4-(4-hydroxy-3,5-diiodophenoxy)-3-iodo-L-phenylalanine
L-3,3',5'-triiodothyronine
O-(4-hydroxy-3,5-diiodophenyl)-3-iodo-L-tyrosine
Reverse triiodothyronine
rT3
reverse L-triiodothyronine

metacyc.compound:CPD-10813
metacycM:CPD-10813
HZCBWYNLGPIQRK-LBPRGKRZSA-N 		3,3',5'-triiodo-L-thyronine
4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenylalanine
O-(4-hydroxy-3,5-diiodophenyl)-3-iodotyrosine
O-(4-hydroxy-3-iodo-phenyl)-3,5-diiodo-L-tyrosine
rT3
reverse triiodothyronine
triiodothyronine, reverse

bigg.metabolite:HC02187
biggM:HC02187
HZCBWYNLGPIQRK-LBPRGKRZSA-N 		Reverse-triiodthyronine

envipath:...8c131e9ff83c
envipathM:...8c131e9ff83c
HZCBWYNLGPIQRK-LBPRGKRZSA-M 		compound 0048659

vmhM:HC02187
vmhmetabolite:HC02187
HZCBWYNLGPIQRK-LBPRGKRZSA-N 		reverse-triiodthyronine
2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]propanoic acid

biggM:M_CE2754
biggM:M_HC02187
keggC:M_C07639
seedM:M_cpd19082
vmhM:M_HC02187 		secondary/obsolete/fantasy identifier