(Q106345526)

English

3-amino-3-(4-hydroxyphenyl)propanoic acid zwitterion

chemical compound

3-azaniumyl-3-(4-hydroxyphenyl)propanoate

In more languages

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

part of

tyrosine 2,3-aminomutase activity

1 reference

reference URL

http://geneontology.org/external2go/rhea2go

retrieved

1 February 2021

mass

181.073893212 dalton

1 reference

based on heuristic

inferred from SMILES

tautomer of

3-amino-3-(4-hydroxyphenyl)propanoic acid

1 reference

stated in

ChEBI release 2021-03-01

chemical formula

C₉H₁₁NO₃

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

NC(CC(=O)O)c1ccc(O)cc1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)

1 reference

stated in

ChEBI release 2021-03-01

InChIKey

JYPHNHPXFNEZBR-UHFFFAOYSA-N

1 reference

stated in

ChEBI release 2021-03-01

CAS Registry Number

6049-54-3

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

PubChem CID

440311

1 reference

matched by identifier from

InChIKey

JYPHNHPXFNEZBR-UHFFFAOYSA-N

4357428

1 reference

matched by identifier from

InChIKey

JYPHNHPXFNEZBR-UHFFFAOYSA-N

ChEBI ID

57956

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)

16939

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)

SureChEMBL ID

SCHEMBL284828

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

JYPHNHPXFNEZBR-UHFFFAOYSA-N

MassBank accession ID

MSBNK-Keio_Univ-KO000268

1 reference

InChIKey

JYPHNHPXFNEZBR-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-Keio_Univ-KO000270

1 reference

InChIKey

JYPHNHPXFNEZBR-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-Keio_Univ-KO000272

1 reference

InChIKey

JYPHNHPXFNEZBR-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-Keio_Univ-KO000269

1 reference

InChIKey

JYPHNHPXFNEZBR-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-Keio_Univ-KO000271

1 reference

InChIKey

JYPHNHPXFNEZBR-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

matched by identifier from

InChIKey

JYPHNHPXFNEZBR-UHFFFAOYSA-N

Human Metabolome Database ID

HMDB0003831

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

JYPHNHPXFNEZBR-UHFFFAOYSA-N

(Q106345526)

3-amino-3-(4-hydroxyphenyl)propanoic acid zwitterion

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