3-aminooctanoic acid (Q27144079)

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chemical compound

• beta-aminooctanoic acid
• beta-aminocaprylic acid
• 3-aminocaprylic acid

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Language	Label	Description	Also known as
English	3-aminooctanoic acid	chemical compound	beta-aminooctanoic acid beta-aminocaprylic acid 3-aminocaprylic acid

Statements

instance of

type of chemical entity

0 references

subclass of

amino fatty acids

0 references

mass

159.126±0 dalton

1 reference

stated in

PubChem

PubChem CID

295606

language of work or name

English

title

3-aminooctanoic acid (English)

retrieved

8 October 2016

chemical formula

C₈H₁₇NO₂

1 reference

stated in

PubChem

PubChem CID

295606

language of work or name

English

title

3-aminooctanoic acid (English)

retrieved

8 October 2016

canonical SMILES

CCCCCC(CC(=O)O)N

1 reference

stated in

PubChem

PubChem CID

295606

language of work or name

English

title

3-aminooctanoic acid (English)

retrieved

8 October 2016

Identifiers

InChI

InChI=1S/C8H17NO2/c1-2-3-4-5-7(9)6-8(10)11/h7H,2-6,9H2,1H3,(H,10,11)

1 reference

stated in

PubChem

PubChem CID

295606

language of work or name

English

title

3-aminooctanoic acid (English)

retrieved

8 October 2016

InChIKey

FYHHDJRMDOBZJF-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

295606

language of work or name

English

title

3-aminooctanoic acid (English)

retrieved

8 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

104883-49-0

1 reference

stated in

CAS Common Chemistry

retrieved

7 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=104883-49-0

InChIKey

FYHHDJRMDOBZJF-UHFFFAOYSA-N

ChemSpider ID

260867

1 reference

stated in

ChemSpider

ChemSpider ID

260867

language of work or name

English

title

3-Aminooctanoic acid (English)

retrieved

8 October 2016

21237768

1 reference

stated in

ChemSpider

ChemSpider ID

21237768

language of work or name

English

title

3-Aminooctanoic acid (English)

retrieved

8 October 2016

PubChem CID

295606

2 references

stated in

PubChem

PubChem CID

295606

language of work or name

English

title

3-aminooctanoic acid (English)

retrieved

8 October 2016

matched by identifier from

InChIKey

InChIKey

FYHHDJRMDOBZJF-UHFFFAOYSA-N

Reaxys registry number

1760758

1 reference

stated in

ChEBI

ChEBI ID

73739

language of work or name

English

title

3-aminooctanoic acid (English)

retrieved

8 October 2016

ChEBI ID

73739

mapping relation type

exact match

2 references

stated in

ChEBI

ChEBI ID

73739

language of work or name

English

title

3-aminooctanoic acid (English)

retrieved

8 October 2016

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C8H17NO2/c1-2-3-4-5-7(9)6-8(10)11/h7H,2-6,9H2,1H3,(H,10,11)

SureChEMBL ID

SCHEMBL626959

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

FYHHDJRMDOBZJF-UHFFFAOYSA-N

UniChem compound ID

26981059

1 reference

stated in

UniChem

DSSTox substance ID

DTXSID90304261

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

FYHHDJRMDOBZJF-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID20255393

0 references

LIPID MAPS ID

LMFA01100020

0 references

 

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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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