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English
L-thyroxine zwitterion
chemical compound
(2S)-2-ammonio-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
part of
thyroxine 5'-deiodinase activity
1 reference
reference URL
http://geneontology.org/external2go/rhea2go
retrieved
1 February 2021
thyroxine 5-deiodinase activity
1 reference
reference URL
http://geneontology.org/external2go/rhea2go
retrieved
1 February 2021
response to thyroxine
subject has role
reactant
1 reference
stated in
Gene Ontology release 2022-07-01
mass
776.686699832
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
dextrothyroxine
1 reference
based on heuristic
inferred from InChI
L-thyroxine
1 reference
based on heuristic
inferred from InChI
tautomer of
L-thyroxine
1 reference
stated in
ChEBI release 2021-03-01
chemical formula
C₁₅H₁₁I₄NO₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
NC(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
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
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
XUIIKFGFIJCVMT-LBPRGKRZSA-N
1 reference
stated in
ChEBI release 2021-03-01
CAS Registry Number
51-48-9
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
5819
1 reference
matched by identifier from
InChIKey
InChIKey
XUIIKFGFIJCVMT-LBPRGKRZSA-N
25201348
1 reference
matched by identifier from
InChIKey
InChIKey
XUIIKFGFIJCVMT-LBPRGKRZSA-N
ChEBI ID
58448
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
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
18332
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
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
SureChEMBL ID
SCHEMBL23098
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XUIIKFGFIJCVMT-LBPRGKRZSA-N
MassBank accession ID
MSBNK-Athens_Univ-AU274306
1 reference
InChIKey
XUIIKFGFIJCVMT-LBPRGKRZSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID8023214
1 reference
matched by identifier from
InChIKey
InChIKey
XUIIKFGFIJCVMT-LBPRGKRZSA-N
DrugBank ID
DB00451
1 reference
matched by identifier from
InChIKey
InChIKey
XUIIKFGFIJCVMT-LBPRGKRZSA-N
Human Metabolome Database ID
HMDB0000248
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XUIIKFGFIJCVMT-LBPRGKRZSA-N
UNII
Q51BO43MG4
1 reference
matched by identifier from
InChIKey
InChIKey
XUIIKFGFIJCVMT-LBPRGKRZSA-N
Probes And Drugs ID
PD001584
0 references
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