MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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3,5-Diiodothyronine

MNXM8095 is deprecated and here replaced by MNXM740422
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM740422
reference	chebi:89575
formula	C₁₅H₁₃I₂NO₄
global charge	0
mol weight	525.08
InChIKey	ZHSOTLOTTDYIIK-UHFFFAOYSA-N
InChI	InChI=1S/C15H13I2NO4/c16-11-5-8(7-13(18)15(20)21)6-12(17)14(11)22-10-3-1-9(19)2-4-10/h1-6,13,19H,7,18H2,(H,20,21)
SMILES	NC(CC1=CC(I)=C(OC2=CC=C(O)C=C2)C(I)=C1)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C15H13I2NO4/c16-11-5-8(7-13(18)15(20)21)6-12(17)14(11)22-10-3-1-9(19)2-4-10/h1-6,13,19H,7,18H2,(H,20,21)/t13?
SMILES (mnx)	[CH:1]1=[CH:3][C:10]([O:22][C:14]2=[C:11]([I:16])[CH:5]=[C:8]([CH2:7][CH:13]([C:15](=[O:20])[OH:21])[NH2:18])[CH:6]=[C:12]2[I:17])=[CH:4][CH:2]=[C:9]1[OH:19]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:89575 chebi:89575 ZHSOTLOTTDYIIK-UHFFFAOYSA-N	3,5-Diiodothyronine (3,5-diiodo-4-(-p-hydroxyphenoxy)phenyl)-Alanine 2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid 3',5'-Diiodothyronine 3,5-Diiodo-D-thyronine 3,5-Diiodo-DL-thyronine 3,5-Diiodo-L-thyronine 3,5-Diiodo-dl-thryronine 3,5-T2 4-(4-Hydroxyphenoxy)-3,5-diiodophenylalanine D-O-(4-Hydroxyphenyl)-3,5-diiodo-Tyrosine DL-3,5-Diiodothyronine DL-Diiodothyronine Diiodo-L-thyronine Diiodothyronine L-3,5-Diiodothyronine L-O-(4-Hydroxyphenyl)-3,5-diiodo-Tyrosine O-(4-Hydroxyphenyl)-3,5-diiodo-Tyrosine
hmdb:HMDB0000582 ZHSOTLOTTDYIIK-UHFFFAOYSA-N	3,5-Diiodothyronine (3,5-Diiodo-4-(-p-hydroxyphenoxy)phenyl)-alanine 2-Amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoate 2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid 3',5'-Diiodothyronine 3,5-Diiodo-D-thyronine 3,5-Diiodo-DL-thryronine 3,5-Diiodo-DL-thyronine 3,5-Diiodo-L-thyronine 3,5-Diiodothyronine, (DL)-isomer 3,5-Diiodothyronine, (L)-isomer 3,5-T2 3,5-diiodo-dl-thryronine 35-Diiodothyronine 4-(4-Hydroxyphenoxy)-3,5-diiodophenylalanine D-O-(4-Hydroxyphenyl)-3,5-diiodo-tyrosine DL-3,5-Diiodothyronine DL-Diiodothyronine Diiodo-L-thyronine Diiodothyronine L-3,5-Diiodothyronine L-O-(4-Hydroxyphenyl)-3,5-diiodo-tyrosine O-(4-Hydroxyphenyl)-3,5-diiodo-tyrosine
hmdb:HMDB0000627 hmdb:HMDB00582 hmdb:HMDB00627	secondary/obsolete/fantasy identifier