Feedback

L-thyroxine

	Properties	Image
MNX_ID	MNXM726865
reference	chebi:58448
formula	C₁₅H₁₁I₄NO₄
global charge	0
mol weight	776.872
InChIKey	XUIIKFGFIJCVMT-LBPRGKRZSA-N
InChI	InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1
SMILES	[NH3+][C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1
SMILES (mnx)	[CH:1]1=[C:6]([CH2:3][C@@H:12]([C:15](=[O:22])[OH:23])[NH2:20])[CH:2]=[C:11]([I:19])[C:14]([O:24][C:7]2=[CH:4][C:8]([I:16])=[C:13]([OH:21])[C:9]([I:17])=[CH:5]2)=[C:10]1[I:18]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	29
in models (compartimentalized)	15

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58448 chebi:58448 XUIIKFGFIJCVMT-LBPRGKRZSA-N	L-thyroxine (2S)-2-ammonio-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate L-thyroxine zwitterion
seed.compound:cpd27373 seedM:cpd27373 XUIIKFGFIJCVMT-LBPRGKRZSA-N	3,3',5,5'-tetraiodo-L-thyronine 3,5,3',5'-tetraiodo-L-thyronine 4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo-L-phenylalanine L-T4 L-thyroxine O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine T4 levothyroxin levothyroxine
bigg.metabolite:thyox__L biggM:thyox__L XUIIKFGFIJCVMT-LBPRGKRZSA-N	L-Thyroxine
sabiork.compound:2321 sabiorkM:2321 XUIIKFGFIJCVMT-LBPRGKRZSA-N	L-Thyroxine 3,5,3'5'-Tetraiiodo-L-thyronine 3,5,3'5'-Tetraiodo-L-thyronine Levothyroxin O-(4-Hydroxy-3,5-diidophenyl)-3,5-diiodo-L-tyrosine T4
CHEBI:60302 chebi:60302 XUIIKFGFIJCVMT-LBPRGKRZSA-M	L-thyroxine(1-) (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propionate L-thyroxine anion levothyroxine anion levothyroxine(1-)
vmhM:thyox_L vmhmetabolite:thyox_L XUIIKFGFIJCVMT-LBPRGKRZSA-N	L-thyroxine (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
reactome:R-ALL-209937 reactomeM:R-ALL-209937 reactome:R-ALL-352326 reactomeM:R-ALL-352326 CHEBI:18332 chebi:18332 XUIIKFGFIJCVMT-LBPRGKRZSA-N	L-thyroxine 3,3',5,5'-tetraiodo-L-thyronine 3,5,3',5'-TETRAIODO-L-THYRONINE 3,5,3',5'-tetraiodo-L-thyronine 4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo-L-phenylalanine L-T4 L-Thyroxine LT4 Levothyroxin O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine T4 levothyroxine
metacyc.compound:L-THYROXINE metacycM:L-THYROXINE XUIIKFGFIJCVMT-LBPRGKRZSA-N	L-thyroxine 3,3',5,5'-tetraiodo-L-thyronine 3,5,3',5'-tetraiodo-L-thyronine 4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo-L-phenylalanine L-T4 O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine T4 levothyroxin levothyroxine
kegg.drug:D08125 keggD:D08125 XUIIKFGFIJCVMT-LBPRGKRZSA-N	Levothyroxine (BAN) Forthyron (TN)
seed.compound:cpd01259 seedM:cpd01259 XUIIKFGFIJCVMT-LBPRGKRZSA-N	T4 2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid 3,5,3'5'-Tetraiodo-L-thyronine DL-thyroxine L-Thyroxine Levothyroxin O-(4-Hydroxy-3,5-diidophenyl)-3,5-diiodo-L-tyrosine O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodo-DL-tyrosine Thx Thyroxine thyroxine
kegg.drug:D06121 keggD:D06121 XUIIKFGFIJCVMT-LBPRGKRZSA-N	Thyroxine I 125 (USAN) Tetramet (TN)
kegg.drug:D06122 keggD:D06122 XUIIKFGFIJCVMT-LBPRGKRZSA-N	Thyroxine I 131 (USAN)
hmdb:HMDB0000248 XUIIKFGFIJCVMT-LBPRGKRZSA-N	Thyroxine (-)-Thyroxine (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid 3,3',5,5''-tetraiodo-L-Thyronine 3,3',5,5'-Tetraiodo-L-thyronine 3,5,3',5'-TETRAIODO-L-thyronine 3,5,3',5'-Tetraiodothyronine 3,5,3'5'-Tetraiodo-L-thyronine 4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodo-L-phenylalanine Abbot brand OF levothyroxine sodium Allphar brand OF levothyroxine sodium Aventis brand OF levothyroxine sodium Berlin chemie brand OF levothyroxine sodium Berlin-chemie brand OF levothyroxine sodium Berlthyrox Betapharm brand OF levothyroxine sodium Byk brand OF levothyroxine sodium D-Thyroxine DL-Thyroxin Deladande, levothyroxin Delalande brand OF levothyroxine sodium Delalande, levothyroxin Dexnon Eferox Eltroxin Eltroxine Euthyrox Eutirox Forest brand OF levothyroxine sodium Forthyron Genpharm brand OF levothyroxine sodium GlaxoSmithKline brand OF levothyroxine sodium GlaxoWellcome brand OF levothyroxine sodium Goldshield brand OF levothyroxine sodium Henning Henning berlin brand OF levothyroxine sodium Hexal brand 1 OF levothyroxine sodium Hexal brand 2 OF levothyroxine sodium Kern brand OF levothyroxine sodium L Thyrox L Thyroxin beta L Thyroxin henning L Thyroxine L Thyroxine roche L-3,5,3',5'-Tetraiodothyronine L-T4 L-Thyrox L-Thyroxin L-Thyroxin beta L-Thyroxin henning L-Thyroxine L-Thyroxine roche LT4 LThyroxin beta LThyroxin henning Laevothyroxinum LevoT Levothroid Levothyroid Levothyrox Levothyroxin Levothyroxin deladande Levothyroxin delalande Levothyroxine Levothyroxine sodium Levothyroxinum Levoxine Levoxyl Merck brand OF levothyroxine sodium Merck lipha sante brand OF levothyroxine sodium Monarch brand OF levothyroxine sodium Mova brand OF levothyroxine sodium Nourypharma brand OF levothyroxine sodium Novothyral Novothyrox O-(4-Hydroxy-3,5-diidophenyl)-3,5-diiodo-L-tyrosine O-(4-Hydroxy-3,5-diiodophenyl) 3,5-diiodo-L-tyrosine O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodotyrosine Oroxine Prestwick_548 Roche brand OF levothyroxine sodium Rudefsa brand OF levothyroxine sodium Sanofi synthelabo brand OF levothyroxine sodium Sigma brand OF levothyroxine sodium Sodium levothyroxine Synthroid Synthrox T4 T4 Thyroid hormone THX Tetraiodothyronine Tetramet Thevier Thyratabs Thyrax Thyreoideum Thyroid hormone, T4 Thyroxin Thyroxinal Thyroxine I 125 Thyroxine iodine Tiroidine Tiroxina leo Unithroid Vortex brand OF levothyroxine sodium Watson brand OF levothyroxine sodium leo, Tiroxina levo T levo-T levothyroxine
kegg.compound:C01829 keggC:C01829 XUIIKFGFIJCVMT-LBPRGKRZSA-N	Thyroxine 3,5,3'5'-Tetraiodo-L-thyronine L-Thyroxine Levothyroxin O-(4-Hydroxy-3,5-diidophenyl)-3,5-diiodo-L-tyrosine T4
envipath:...ab4812add777 envipathM:...ab4812add777 XUIIKFGFIJCVMT-UHFFFAOYSA-N	compound 0042502
envipath:...270ad568442a envipathM:...270ad568442a XUIIKFGFIJCVMT-LBPRGKRZSA-N	compound 0048656
CHEBI:305790 chebi:305790 XUIIKFGFIJCVMT-UHFFFAOYSA-N	thyroxine (2S)-2-azaniumyl-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate 2-Amino-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]-propionate thyroxine zwitterion
CHEBI:30660 chebi:30660 XUIIKFGFIJCVMT-UHFFFAOYSA-N	thyroxine 2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid DL-Thyroxine O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodo-DL-tyrosine Thx
metacyc.compound:THRYROXINE metacycM:THRYROXINE XUIIKFGFIJCVMT-UHFFFAOYSA-N	thyroxine 2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid DL-thyroxine O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodo-DL-tyrosine Thx
hmdb:HMDB0001918 hmdb:HMDB00248 hmdb:HMDB01918 chebi:13177 chebi:21406 chebi:45848 chebi:7663 biggM:M_thyox__L keggC:M_C01829 keggD:M_D06121 keggD:M_D06122 keggD:M_D08125 seedM:M_cpd01259 seedM:M_cpd27373 vmhM:M_thyox_L	secondary/obsolete/fantasy identifier