3-iodo-L-tyrosine zwitterion (Q106345638)

1 February 2021

mass

306.97054117999994 dalton

1 reference

2 references

inferred from InChIKey

1 reference

chemical formula

C₉H₁₀INO₃

1 reference

inferred from SMILES

canonical SMILES

NC(Cc1ccc(O)c(I)c1)C(=O)O

1 reference

inferred from isomeric SMILES

isomeric SMILES

N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O

1 reference

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

inferred from InChI

Identifiers

InChI

1 reference

1 reference

CAS Registry Number

70-78-0

1 reference

CAS (formerly Chemical Abstracts Service)

25 January 2022

PubChem CID

439744

1 reference

6918986

1 reference

ChEBI ID

59898

mapping relation type

exact match

2 references

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

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

inferred from InChIKey

MassBank accession ID

MSBNK-Keio_Univ-KO001241

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO001244

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO003227

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO003230

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO009007

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO009010

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO009011

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO009013

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO001242

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO001243

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO001245

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO003228

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO003231

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO009006

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO009008

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO009012

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO003229

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Keio_Univ-KO009009

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

DrugBank ID

DB01758

1 reference

Human Metabolome Database ID

HMDB0000021

2 references

inferred from InChIKey

UNII

FRQ98U4U27

1 reference