3-Methylhexanoic acid (Q81986319)

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chemical compound

Language	Label	Description	Also known as
English	3-Methylhexanoic acid	chemical compound

Statements

type of chemical entity

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branched chain fatty acids

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130.099379688 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₇H₁₄O₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCC(C)CC(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C7H14O2/c1-3-4-6(2)5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)

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NZQMQVJXSRMTCJ-UHFFFAOYSA-N

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CAS Registry Number

1 reference

NZQMQVJXSRMTCJ-UHFFFAOYSA-N

CAS Common Chemistry

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=3780-58-3

2 references

26 December 2021

matched by identifier from

NZQMQVJXSRMTCJ-UHFFFAOYSA-N

mapping relation type

2 references

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI=1S/C7H14O2/c1-3-4-6(2)5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

NZQMQVJXSRMTCJ-UHFFFAOYSA-N

UniChem compound ID

1 reference

DSSTox substance ID

1 reference

matched by identifier from

NZQMQVJXSRMTCJ-UHFFFAOYSA-N

DSSTOX compound identifier

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0 references

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08.096

1 reference

CAS no.: 3780-58-3 (English)

23 January 2021

08.096

1 reference

matched by identifier from

NZQMQVJXSRMTCJ-UHFFFAOYSA-N

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

30 June 2018

Sitelinks

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Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

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