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3,5,3'-triiodothyropyruvate

PropertiesImage
MNX_IDMNXM4318 Image of MNXM4318
referencechebi:58403
formulaC15H8I3O5
global charge-1
mol weight648.936
InChIKeyUZLGNJCPGBOQIB-UHFFFAOYSA-M
InChIInChI=1S/C15H9I3O5/c16-9-6-8(1-2-12(9)19)23-14-10(17)3-7(4-11(14)18)5-13(20)15(21)22/h1-4,6,19H,5H2,(H,21,22)/p-1
SMILESO=C([O-])C(=O)CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1
MNX internals
InChI (mnx)InChI=1/C15H9I3O5/c16-9-6-8(1-2-12(9)19)23-14-10(17)3-7(4-11(14)18)5-13(20)15(21)22/h1-4,6,19H,5H2,(H,21,22) Image of MNXM4318
SMILES (mnx)[CH:1]1=[CH:2][C:12]([OH:19])=[C:9]([I:16])[CH:6]=[C:8]1[O:23][C:14]1=[C:10]([I:17])[CH:3]=[C:7]([CH2:5][C:13]([C:15]([OH:21])=[O:22])=[O:20])[CH:4]=[C:11]1[I:18]
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:58403
chebi:58403
UZLGNJCPGBOQIB-UHFFFAOYSA-M
3,5,3'-triiodothyropyruvate
3,5,3'-triiodophenylpyruvate
3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-2-oxopropanoate

seed.compound:cpd02391
seedM:cpd02391
UZLGNJCPGBOQIB-UHFFFAOYSA-M
3,5,3'-Triiodothyropyruvate
3,5,3'-triiodothyropyruvate
3-[4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-2-oxopropanoate
3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-2-oxopropanoate

kegg.compound:C03832
keggC:C03832
UZLGNJCPGBOQIB-UHFFFAOYSA-N
3,5,3'-Triiodothyropyruvate
3-[4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-2-oxopropanoate

metacyc.compound:CPD-176
metacycM:CPD-176
UZLGNJCPGBOQIB-UHFFFAOYSA-M
3,5,3'-triiodothyropyruvate
3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-2-oxopropanoate

CHEBI:18184
chebi:18184
UZLGNJCPGBOQIB-UHFFFAOYSA-N
3,5,3'-triiodothyropyruvic acid
3,5,3'-triiodophenylpyruvic acid
3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-2-oxopropanoate
3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-2-oxopropanoic acid

envipath:...8b780f54f72f
envipathM:...8b780f54f72f
UZLGNJCPGBOQIB-UHFFFAOYSA-M
compound 0042213

chebi:11703
chebi:1392
chebi:1393
chebi:19895
keggC:M_C03832
seedM:M_cpd02391
secondary/obsolete/fantasy identifier