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triiodothyronine glucuronide

MNXM140 is deprecated and here replaced by MNXM1106760
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1106760 Image of MNXM1106760
referencechebi:145228
formulaC21H20I3NO10
global charge0
mol weight827.1
InChIKeyYYFGGGCINNGOLE-ZDXOGFQLSA-N
InChIInChI=1S/C21H20I3NO10/c22-9-6-8(33-17-10(23)3-7(4-11(17)24)5-12(25)19(29)30)1-2-13(9)34-21-16(28)14(26)15(27)18(35-21)20(31)32/h1-4,6,12,14-16,18,21,26-28H,5,25H2,(H,29,30)(H,31,32)/t12-,14-,15-,16+,18-,21+/m0/s1
SMILESN[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C=C2)C(I)=C1)C(=O)O
MNX internals
InChI (mnx)InChI=1/C21H20I3NO10/c22-9-6-8(33-17-10(23)3-7(4-11(17)24)5-12(25)19(29)30)1-2-13(9)34-21-16(28)14(26)15(27)18(35-21)20(31)32/h1-4,6,12,14-16,18,21,26-28H,5,25H2,(H,29,30)(H,31,32)/t12-,14-,15-,16+,18-,21+/m0/s1 Image of MNXM1106760
SMILES (mnx)[CH:1]1=[CH:2][C:13]([O:34][C@H:21]2[C@H:16]([OH:28])[C@@H:14]([OH:26])[C@H:15]([OH:27])[C@@H:18]([C:20](=[O:31])[OH:32])[O:35]2)=[C:9]([I:22])[CH:6]=[C:8]1[O:33][C:17]1=[C:10]([I:23])[CH:3]=[C:7]([CH2:5][C@@H:12]([C:19](=[O:29])[OH:30])[NH2:25])[CH:4]=[C:11]1[I:24]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:145228
chebi:145228
YYFGGGCINNGOLE-ZDXOGFQLSA-N 		triiodothyronine glucuronide

metacyc.compound:CPD-11400
metacycM:CPD-11400
seed.compound:cpd22930
seedM:cpd22930
YYFGGGCINNGOLE-ZDXOGFQLSA-M 		3,5,3'-triiodo-L-thyronine phenolic beta-D-glucuronide
T3G
beta-D-glucopyranosiduronic acid, 4-(4-(2-amino-2-carboxyethyl)-2,6-diiodophenoxy)-2-iodophenyl, (S)-
triiodothyronine glucuronide
hmdb:HMDB0010346
YYFGGGCINNGOLE-ZDXOGFQLSA-N 		Triiodothyronine glucuronide
(2S,3S,4S,5R,6S)-6-(4-{4-[(2S)-2-amino-2-carboxyethyl]-2,6-diiodophenoxy}-2-iodophenoxy)-3,4,5-trihydroxyoxane-2-carboxylate
(2S,3S,4S,5R,6S)-6-(4-{4-[(2S)-2-amino-2-carboxyethyl]-2,6-diiodophenoxy}-2-iodophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
(S)-4-(4-(2-Amino-2-carboxyethyl)-2,6-diiodophenoxy)-2-iodophenyl-beta-D-glucopyranosiduronic acid
(S)-4-(4-(2-Amino-2-carboxyethyl)-2,6-diiodophenoxy)-2-iodophenyl-beta-delta-glucopyranosiduronic acid
3,3',5-Triiodo-L-thyronine 4'-O-beta-D-glucuronide
3,3',5-Triiodo-L-thyronine O-beta-D-glucuronide
3,3',5-Triiodothyronine O-beta-D-glucuronide
3,3',5-Triiodothyronine glucuronide
3,3',5-triiodo-L-thyronine 4'-O-beta-D-glucuronide
3,3',5-triiodo-L-thyronine O-beta-D-glucuronide
3,3',5-triiodothyronine O-beta-D-glucuronide
3,3',5-triiodothyronine glucuronide
3,3,5-Triiodo-L-thyronine-beta-D-glucuronoside
3,5,3'-Triiodothyronine glucuronide
3,5,3'-triiodothyronine glucuronide
T3G
Triiodothyronine O-beta-D-glucuronide
Triiodothyronine glucuronoside
triiodothyronine glucuronide

hmdb:HMDB0062203
hmdb:HMDB10346
hmdb:HMDB62203
seedM:M_cpd22930 		secondary/obsolete/fantasy identifier