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L-thyronine

PropertiesImage
MNX_IDMNXM13043 Image of MNXM13043
referencechebi:233333
formulaC15H15NO4
global charge0
mol weight273.288
InChIKeyKKCIOUWDFWQUBT-AWEZNQCLSA-N
InChIInChI=1S/C15H15NO4/c16-14(15(18)19)9-10-1-5-12(6-2-10)20-13-7-3-11(17)4-8-13/h1-8,14,17H,9,16H2,(H,18,19)/t14-/m0/s1
SMILES[NH3+][C@@H](CC1=CC=C(OC2=CC=C(O)C=C2)C=C1)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C15H15NO4/c16-14(15(18)19)9-10-1-5-12(6-2-10)20-13-7-3-11(17)4-8-13/h1-8,14,17H,9,16H2,(H,18,19)/t14-/m0/s1 Image of MNXM13043
SMILES (mnx)[CH:1]1=[CH:5][C:12]([O:20][C:13]2=[CH:8][CH:4]=[C:11]([OH:17])[CH:3]=[CH:7]2)=[CH:6][CH:2]=[C:10]1[CH2:9][C@@H:14]([C:15](=[O:18])[OH:19])[NH2:16]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:233333
chebi:233333
KKCIOUWDFWQUBT-AWEZNQCLSA-N 		L-thyronine
L-thyronine zwitterion
O-(4-hydroxyphenyl)-L-tyrosine

seed.compound:cpd22946
seedM:cpd22946
KKCIOUWDFWQUBT-AWEZNQCLSA-N 		4-(4-hydroxyphenoxy)-L-phenylalanine
L-thyronine
O-(4-Hydroxyphenyl)-L-tyrosine
O-(4-hydroxyphenyl)-L-tyrosine
hmdb:HMDB0000667
KKCIOUWDFWQUBT-AWEZNQCLSA-N 		L-Thyronine
(2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid
4-(4-Hydroxyphenoxy)-L-phenylalanine
Desiodothyroxine
O-(4-Hydroxyphenyl)-L-tyrosine
O-(4-Hydroxyphenyl)tyrosine
Thyronine
Thyronines
b-(p-Hydroxyphenoxy)phenylalanine
beta-(p-Hydroxyphenoxy)phenylalanine
thyronine

metacyc.compound:CPD-11428
metacycM:CPD-11428
CHEBI:30662
chebi:30662
KKCIOUWDFWQUBT-AWEZNQCLSA-N 		L-thyronine
4-(4-hydroxyphenoxy)-L-phenylalanine
O-(4-hydroxyphenyl)-L-tyrosine

hmdb:HMDB00667
seedM:M_cpd22946 		secondary/obsolete/fantasy identifier