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(Q106345638)
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English
3-iodo-L-tyrosine zwitterion
chemical compound
(2S)-2-azaniumyl-3-(4-hydroxy-3- iodophenyl)propanoate
In more languages
edit
Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
part of
oxidoreductase activity
1 reference
reference URL
http://geneontology.org/external2go/rhea2go
retrieved
1 February 2021
mass
306.97054117999994
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
3-iodo-L-tyrosine
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
tautomer of
3-iodo-L-tyrosine
1 reference
stated in
ChEBI release 2021-03-01
chemical formula
C₉H₁₀INO₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
NC(Cc1ccc(O)c(I)c1)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
UQTZMGFTRHFAAM-ZETCQYMHSA-N
1 reference
stated in
ChEBI release 2021-03-01
CAS Registry Number
70-78-0
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
439744
1 reference
matched by identifier from
InChIKey
InChIKey
UQTZMGFTRHFAAM-ZETCQYMHSA-N
6918986
1 reference
matched by identifier from
InChIKey
InChIKey
UQTZMGFTRHFAAM-ZETCQYMHSA-N
ChEBI ID
59898
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
27847
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
SureChEMBL ID
SCHEMBL159412
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UQTZMGFTRHFAAM-ZETCQYMHSA-N
MassBank accession ID
MSBNK-Keio_Univ-KO001241
1 reference
InChIKey
UQTZMGFTRHFAAM-ZETCQYMHSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO001244
1 reference
InChIKey
UQTZMGFTRHFAAM-ZETCQYMHSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO003227
1 reference
InChIKey
UQTZMGFTRHFAAM-ZETCQYMHSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO003230
1 reference
InChIKey
UQTZMGFTRHFAAM-ZETCQYMHSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO009007
1 reference
InChIKey
UQTZMGFTRHFAAM-ZETCQYMHSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO009010
1 reference
InChIKey
UQTZMGFTRHFAAM-ZETCQYMHSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO009011
1 reference
InChIKey
UQTZMGFTRHFAAM-ZETCQYMHSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO009013
1 reference
InChIKey
UQTZMGFTRHFAAM-ZETCQYMHSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO001242
1 reference
InChIKey
UQTZMGFTRHFAAM-ZETCQYMHSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO001243
1 reference
InChIKey
UQTZMGFTRHFAAM-ZETCQYMHSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO001245
1 reference
InChIKey
UQTZMGFTRHFAAM-ZETCQYMHSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO003228
1 reference
InChIKey
UQTZMGFTRHFAAM-ZETCQYMHSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO003231
1 reference
InChIKey
UQTZMGFTRHFAAM-ZETCQYMHSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO009006
1 reference
InChIKey
UQTZMGFTRHFAAM-ZETCQYMHSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO009008
1 reference
InChIKey
UQTZMGFTRHFAAM-ZETCQYMHSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO009012
1 reference
InChIKey
UQTZMGFTRHFAAM-ZETCQYMHSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO003229
1 reference
InChIKey
UQTZMGFTRHFAAM-ZETCQYMHSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Keio_Univ-KO009009
1 reference
InChIKey
UQTZMGFTRHFAAM-ZETCQYMHSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID1075353
1 reference
matched by identifier from
InChIKey
InChIKey
UQTZMGFTRHFAAM-ZETCQYMHSA-N
DrugBank ID
01758
1 reference
matched by identifier from
InChIKey
InChIKey
UQTZMGFTRHFAAM-ZETCQYMHSA-N
Human Metabolome Database ID
HMDB0000021
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UQTZMGFTRHFAAM-ZETCQYMHSA-N
UNII
FRQ98U4U27
1 reference
matched by identifier from
InChIKey
InChIKey
UQTZMGFTRHFAAM-ZETCQYMHSA-N
Probes And Drugs ID
PD002697
0 references
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