4-methylpentanal (Q17517938)

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chemical compound

• 4-Methyl valeraldehyde

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Language	Label	Description	Also known as
English	4-methylpentanal	chemical compound	4-Methyl valeraldehyde

Statements

instance of

type of chemical entity

0 references

subclass of

biogenic acyclic aldehyde

0 references

part of

cholesterol monooxygenase (side-chain-cleaving) activity

1 reference

reference URL

http://geneontology.org/external2go/rhea2go

retrieved

1 February 2021

chemical structure

4-methylpentanal.svg
345 × 125; 4 KB

0 references

mass

100.089±0 dalton

1 reference

stated in

PubChem

PubChem CID

129

language of work or name

English

title

4-methylpentanal (English)

retrieved

19 October 2016

chemical formula

C₆H₁₂O

1 reference

stated in

PubChem

PubChem CID

129

language of work or name

English

title

4-methylpentanal (English)

retrieved

19 October 2016

canonical SMILES

CC(C)CCC=O

1 reference

stated in

PubChem

PubChem CID

129

language of work or name

English

title

4-methylpentanal (English)

retrieved

19 October 2016

found in taxon

Homo sapiens

2 references

stated in

Recon 2.2: from reconstruction to model of human metabolism

stated in

A community-driven global reconstruction of human metabolism.

subject has role

primary metabolite

1 reference

stated in

Reactome

reference URL

https://reactome.org/PathwayBrowser/#/R-HSA-1430728&DTAB=MT

Identifiers

InChI

InChI=1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3

1 reference

stated in

PubChem

PubChem CID

129

language of work or name

English

title

4-methylpentanal (English)

retrieved

19 October 2016

InChIKey

JGEGJYXHCFUMJF-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

129

language of work or name

English

title

4-methylpentanal (English)

retrieved

19 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

1119-16-0

1 reference

InChIKey

JGEGJYXHCFUMJF-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

10 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=1119-16-0

ChemSpider ID

126

1 reference

stated in

ChemSpider

ChemSpider ID

126

language of work or name

English

title

4-Methylpentanal (English)

retrieved

19 October 2016

PubChem CID

129

1 reference

stated in

PubChem

PubChem CID

129

language of work or name

English

title

4-methylpentanal (English)

retrieved

19 October 2016

ChEBI ID

17998

mapping relation type

exact match

3 references

stated in

ChEBI

ChEBI ID

17998

language of work or name

English

title

4-methylpentanal (English)

retrieved

19 October 2016

stated in

ChEBI release 2019-10-02

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3

SureChEMBL ID

SCHEMBL107778

1 reference

based on heuristic

inferred from InChIKey

UniChem compound ID

651745

1 reference

stated in

UniChem

RTECS number

YV4200000

1 reference

imported from Wikimedia project

French Wikipedia

ZVG number

510641

0 references

DSSTox substance ID

DTXSID8061509

1 reference

stated in

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

DSSTOX compound identifier

DTXCID6033245

0 references

EC number

214-273-0

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.012.976

retrieved

27 December 2018

title

4-methylvaleraldehyde (English)

quotation

CAS no.: 1119-16-0 (English)

ECHA Substance Infocard ID

100.012.976

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.012.976

retrieved

27 December 2018

title

4-methylvaleraldehyde (English)

quotation

CAS no.: 1119-16-0 (English)

FL number

05.166

1 reference

quotation

CAS no.: 1119-16-0 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

05.166

Human Metabolome Database ID

HMDB0001318

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

JGEGJYXHCFUMJF-UHFFFAOYSA-N

KEGG ID

C02373

0 references

SwissLipids ID

SLM:000390241

1 reference

stated in

SwissLipids

reference URL

https://www.swisslipids.org/#/downloads

retrieved

6 November 2021

PDB ligand ID

MOP

0 references

Google Knowledge Graph ID

/g/11b6swn3fq

0 references

 

Sitelinks

Wikipedia(2 entries)

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• frwiki 4-Méthylpentanal
• zhwiki 4-甲基戊醛

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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