5-methoxyindole-3-acetic acid (Q6172526)

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chemical compound

• (5-methoxy-1H-indol-3-yl)acetic acid
• 5-Methoxyindole-3-acetic acid
• 2-(5-methoxy-1H-indol-3-yl)acetic acid
• 5-Methoxyindoleacetic acid
• 5-Methoxy-3-indoleacetic acid

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Language	Label	Description	Also known as
English	5-methoxyindole-3-acetic acid	chemical compound	(5-methoxy-1H-indol-3-yl)acetic acid 5-Methoxyindole-3-acetic acid 2-(5-methoxy-1H-indol-3-yl)acetic acid 5-Methoxyindoleacetic acid 5-Methoxy-3-indoleacetic acid

Statements

instance of

type of chemical entity

0 references

subclass of

indole alkaloid

0 references

chemical structure

Metoxindolacetato.png
302 × 175; 8 KB

0 references

mass

205.074±0 dalton

1 reference

stated in

PubChem

PubChem CID

18986

language of work or name

English

title

5-Methoxyindole-3-acetic acid (English)

retrieved

19 October 2016

chemical formula

C₁₁H₁₁NO₃

2 references

imported from Wikimedia project

Spanish Wikipedia

stated in

PubChem

PubChem CID

18986

language of work or name

English

title

5-Methoxyindole-3-acetic acid (English)

retrieved

19 October 2016

canonical SMILES

COC1=CC2=C(C=C1)NC=C2CC(=O)O

1 reference

stated in

PubChem

PubChem CID

18986

language of work or name

English

title

5-Methoxyindole-3-acetic acid (English)

retrieved

19 October 2016

found in taxon

tomato

1 reference

stated in

Ultra-high performance liquid chromatography coupled to high resolution Orbitrap mass spectrometry for metabolomic profiling of the endogenous phytohormonal status of the tomato plant

Identifiers

InChI

InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)

1 reference

stated in

PubChem

PubChem CID

18986

language of work or name

English

title

5-Methoxyindole-3-acetic acid (English)

retrieved

19 October 2016

InChIKey

COCNDHOPIHDTHK-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

18986

language of work or name

English

title

5-Methoxyindole-3-acetic acid (English)

retrieved

19 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

3471-31-6

1 reference

InChIKey

COCNDHOPIHDTHK-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=3471-31-6

ChemSpider ID

17924

1 reference

stated in

ChemSpider

ChemSpider ID

17924

language of work or name

English

title

5-Methoxy-3-indoleaceate (English)

retrieved

19 October 2016

PubChem CID

18986

2 references

stated in

PubChem

PubChem CID

18986

language of work or name

English

title

5-Methoxyindole-3-acetic acid (English)

retrieved

19 October 2016

matched by identifier from

InChIKey

InChIKey

COCNDHOPIHDTHK-UHFFFAOYSA-N

ChEBI ID

28281

mapping relation type

exact match

2 references

stated in

ChEBI release 2019-10-02

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)

ChEMBL ID

CHEMBL85433

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL85433

language of work or name

English

title

CHEMBL85433 (English)

retrieved

19 October 2016

SureChEMBL ID

SCHEMBL674415

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

COCNDHOPIHDTHK-UHFFFAOYSA-N

UniChem compound ID

596094

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Keio_Univ-KO003477

0 references

MSBNK-Keio_Univ-KO003478

0 references

MSBNK-Keio_Univ-KO003479

0 references

MSBNK-Keio_Univ-KO003480

0 references

MSBNK-Keio_Univ-KO003481

0 references

MSBNK-Keio_Univ-KO009067

0 references

MSBNK-Keio_Univ-KO009068

0 references

MSBNK-IPB_Halle-PB000518

0 references

MSBNK-IPB_Halle-PB000519

0 references

MSBNK-IPB_Halle-PB000520

0 references

MSBNK-IPB_Halle-PB000521

0 references

MSBNK-IPB_Halle-PB000522

0 references

MSBNK-IPB_Halle-PB000523

0 references

MSBNK-Keio_Univ-KO001452

0 references

MSBNK-Keio_Univ-KO001453

0 references

MSBNK-Keio_Univ-KO001454

0 references

MSBNK-Keio_Univ-KO001455

0 references

MSBNK-Keio_Univ-KO001456

0 references

SPLASH

splash10-03di-0900000000-e29f13bccd0ff61f4d73

0 references

splash10-03di-0900000000-27318e117029d4756f51

0 references

splash10-02u1-0900000000-fc96484038377a19704e

0 references

splash10-014i-1900000000-b5ca37dc8dd19df79bca

0 references

splash10-014i-7900000000-ceb8e6c122bb9a4d3fbb

0 references

splash10-0f6x-0950000000-b35cb5918f36be3e1ed9

0 references

splash10-0udl-0900000000-4ecf8c9d3192ce786ee1

0 references

splash10-0udi-0900000000-8aed7fec3a54d7bd49ce

0 references

splash10-0udl-2900000000-d7b7a09d3453a1048a14

0 references

splash10-0006-5900000000-de21476dd6d423ce7637

0 references

splash10-0002-1910000000-8fd2478b70c897657b7f

0 references

splash10-0002-1900000000-7fd87377f29173005ec3

0 references

splash10-000i-9700000000-a4cf39ea98f467ad9511

0 references

splash10-000i-9200000000-db11b5a046b68c168da7

0 references

splash10-05n1-9100000000-0ff3c25c94ca7b6e75da

0 references

splash10-03di-0900000000-0c8ed04608a5330c9d3a

0 references

splash10-03di-0900000000-180323fe2fd29c1f5d75

0 references

splash10-001i-0491000000-3833b4bbd544be9889d4

0 references

splash10-001i-1492000000-4bb4e49122eeca577f6f

0 references

NMRShiftDB structure ID

20209617

1 reference

matched by identifier from

InChIKey

InChIKey

COCNDHOPIHDTHK-UHFFFAOYSA-N

DSSTox substance ID

DTXSID70188268

2 references

stated in

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

InChIKey

InChIKey

COCNDHOPIHDTHK-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID00110759

0 references

EC number

222-438-3

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.020.400

retrieved

27 December 2018

title

5-methoxyindol-3-ylacetic acid (English)

quotation

CAS no.: 3471-31-6 (English)

ECHA Substance Infocard ID

100.020.400

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.020.400

retrieved

27 December 2018

title

5-methoxyindol-3-ylacetic acid (English)

quotation

CAS no.: 3471-31-6 (English)

Human Metabolome Database ID

HMDB0004096

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

COCNDHOPIHDTHK-UHFFFAOYSA-N

UNII

MSN7CK6ETH

1 reference

matched by identifier from

InChIKey

InChIKey

COCNDHOPIHDTHK-UHFFFAOYSA-N

Probes And Drugs ID

PD126571

0 references

PDB ligand ID

MYI

0 references

CAB ID

324

1 reference

stated in

CAB Thesaurus

retrieved

6 April 2020

Google Knowledge Graph ID

/g/121dvf__

0 references

PDB structure ID

3ADU

1 reference

stated in

Protein Data Bank

PDB structure ID

3ADU

language of work or name

English

title

3ADU (English)

retrieved

19 October 2016

3ADW

1 reference

stated in

Protein Data Bank

PDB structure ID

3ADW

language of work or name

English

title

3ADW (English)

retrieved

19 October 2016

 

Sitelinks

Wikipedia(1 entry)

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• eswiki Ácido 5-metoxindolacético

Wikibooks(0 entries)

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Wikinews(0 entries)

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Wikiquote(0 entries)

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Wikisource(0 entries)

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Wikiversity(0 entries)

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Wikivoyage(0 entries)

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Wiktionary(0 entries)

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Multilingual sites(0 entries)

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Retrieved from "https://www.wikidata.org/w/index.php?title=Q6172526&oldid=2237130109"