glyceryl 1-caprylate (Q6901490)

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chemical compound

• monoctanoin
• 1-Monocaprylin
• 2,3-Dihydroxypropyl octanoate
• Caprylic acid α-monoglyceride
• Monoctanoin
• Monooctanoin
• Octanoic acid 1-monoglyceride

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Language	Label	Description	Also known as
English	glyceryl 1-caprylate	chemical compound	monoctanoin 1-Monocaprylin 2,3-Dihydroxypropyl octanoate Caprylic acid α-monoglyceride Monoctanoin Monooctanoin Octanoic acid 1-monoglyceride

Statements

instance of

type of chemical entity

0 references

subclass of

biogenic acyclic ester

0 references

chemical structure

Monoctanoin.svg
512 × 142; 13 KB

0 references

mass

218.151809±0 dalton

1 reference

stated in

PubChem

PubChem CID

3033877

language of work or name

English

title

Monocaprylin (English)

retrieved

21 September 2016

chemical formula

C₁₁H₂₂O₄

1 reference

stated in

PubChem

PubChem CID

3033877

language of work or name

English

title

Monocaprylin (English)

retrieved

19 November 2016

canonical SMILES

CCCCCCCC(=O)OCC(CO)O

1 reference

stated in

PubChem

PubChem CID

3033877

language of work or name

English

title

Monocaprylin (English)

retrieved

19 November 2016

Identifiers

InChI

InChI=1S/C11H22O4/c1-2-3-4-5-6-7-11(14)15-9-10(13)8-12/h10,12-13H,2-9H2,1H3

1 reference

stated in

PubChem

PubChem CID

3033877

language of work or name

English

title

Monocaprylin (English)

retrieved

19 November 2016

InChIKey

GHBFNMLVSPCDGN-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

3033877

language of work or name

English

title

Monocaprylin (English)

retrieved

19 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

502-54-5

2 references

stated in

Global Substance Registration System

UNII

MCF579Z59B

language of work or name

English

title

glyceryl 1-caprylate (English)

retrieved

19 November 2016

InChIKey

GHBFNMLVSPCDGN-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=502-54-5

ChemSpider ID

2298454

1 reference

stated in

ChemSpider

ChemSpider ID

2298454

language of work or name

English

title

monooctanoin (English)

retrieved

19 November 2016

PubChem CID

3033877

1 reference

stated in

PubChem

PubChem CID

3033877

language of work or name

English

title

Monocaprylin (English)

retrieved

19 November 2016

ChEBI ID

85241

mapping relation type

exact match

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL1570482

language of work or name

English

title

MONOCTANOIN COMPONENT A (English)

retrieved

19 November 2016

ChEMBL ID

CHEMBL1570482

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL1570482

language of work or name

English

title

MONOCTANOIN COMPONENT A (English)

retrieved

19 November 2016

SureChEMBL ID

SCHEMBL119681

1 reference

based on heuristic

inferred from InChIKey

UniChem compound ID

887455

1 reference

stated in

UniChem

DSSTox substance ID

DTXSID6048383

1 reference

stated in

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

DSSTOX compound identifier

DTXCID6022006

0 references

EC number

610-514-2

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.112.381

retrieved

27 December 2018

title

Octanoic acid, 2,3-dihydroxypropyl ester (English)

quotation

CAS no.: 502-54-5 (English)

ECHA Substance Infocard ID

100.112.381

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.112.381

retrieved

27 December 2018

title

Octanoic acid, 2,3-dihydroxypropyl ester (English)

quotation

CAS no.: 502-54-5 (English)

DrugBank ID

06801

1 reference

stated in

DrugBank

DrugBank ID

06801

language of work or name

English

title

Monoctanoin (English)

publication date

3 July 2018

Human Metabolome Database ID

HMDB0254850

1 reference

based on heuristic

inferred from InChIKey

UNII

MCF579Z59B

1 reference

stated in

Global Substance Registration System

UNII

MCF579Z59B

language of work or name

English

title

glyceryl 1-caprylate (English)

retrieved

19 November 2016

Probes And Drugs ID

PD013492

0 references

DrugCentral ID

3364

1 reference

stated in

UniChem

Freebase ID

/m/0hr7znd

0 references

 

Sitelinks

Wikipedia(3 entries)

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• enwiki Monoctanoin
• shwiki Monoktanoin
• srwiki Monoktanoin

Wikibooks(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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