hexadecan-2-one (Q27283217)

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chemical compound

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Language	Label	Description	Also known as
English	hexadecan-2-one	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

biogenic acyclic ketone

0 references

oxygenated hydrocarbon

0 references

mass

240.245±0 dalton

1 reference

stated in

PubChem

PubChem CID

29251

language of work or name

English

title

Hexadecan-2-one (English)

retrieved

14 October 2016

chemical formula

C₁₆H₃₂O

1 reference

stated in

PubChem

PubChem CID

29251

language of work or name

English

title

Hexadecan-2-one (English)

retrieved

14 October 2016

canonical SMILES

CCCCCCCCCCCCCCC(=O)C

1 reference

stated in

PubChem

PubChem CID

29251

language of work or name

English

title

Hexadecan-2-one (English)

retrieved

14 October 2016

found in taxon

Flavobacterium

1 reference

stated in

Volatile Organic Compounds from Arctic Bacteria of theCytophaga-Flavobacterium-Bacteroides Group: A Retrobiosynthetic Approach in Chemotaxonomic Investigations

Quercus agrifolia

1 reference

stated in

Volatile components of california live oak, quercus agrifolia

Hamamelis virginiana

1 reference

stated in

Study on the composition of the volatile fraction of Hamamelis virginiana

Aster scaber

1 reference

stated in

Volatile compounds isolated from edible Korean chamchwi (Aster scaber Thunb)

Humulus lupulus

1 reference

stated in

Direct thermal desorption-gas chromatography and gas chromatography-mass spectrometry profiling of hop (Humulus lupulus L.) essential oils in support of varietal characterization

Identifiers

InChI

InChI=1S/C16H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h3-15H2,1-2H3

1 reference

stated in

PubChem

PubChem CID

29251

language of work or name

English

title

Hexadecan-2-one (English)

retrieved

14 October 2016

InChIKey

XCXKZBWAKKPFCJ-UHFFFAOYSA-N

1 reference

stated in

PubChem

PubChem CID

29251

language of work or name

English

title

Hexadecan-2-one (English)

retrieved

14 October 2016

CAS Registry Number

18787-63-8

2 references

stated in

Global Substance Registration System

UNII

LW5WI8V19D

language of work or name

English

title

hexadecan-2-one (English)

retrieved

14 October 2016

InChIKey

XCXKZBWAKKPFCJ-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=18787-63-8

ChemSpider ID

27203

1 reference

stated in

ChemSpider

ChemSpider ID

27203

language of work or name

English

title

2-Hexadecanone (English)

retrieved

14 October 2016

PubChem CID

29251

2 references

stated in

PubChem

PubChem CID

29251

language of work or name

English

title

Hexadecan-2-one (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

XCXKZBWAKKPFCJ-UHFFFAOYSA-N

ChEBI ID

179359

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C16H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h3-15H2,1-2H3

ChEMBL ID

CHEMBL3273568

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL3273568

language of work or name

English

title

CHEMBL3273568 (English)

retrieved

14 October 2016

SureChEMBL ID

SCHEMBL308802

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

XCXKZBWAKKPFCJ-UHFFFAOYSA-N

UniChem compound ID

24499788

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP008595

0 references

SPLASH

splash10-0a4l-9000000000-5d631cf5b1a8da2be734

0 references

DSSTox substance ID

DTXSID10172101

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

XCXKZBWAKKPFCJ-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID8094592

0 references

EC number

242-571-0

1 reference

stated in

Global Substance Registration System

UNII

LW5WI8V19D

language of work or name

English

title

hexadecan-2-one (English)

retrieved

14 October 2016

ECHA Substance Infocard ID

100.038.685

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.038.685

retrieved

27 December 2018

title

Hexadecan-2-one (English)

quotation

CAS no.: 18787-63-8 (English)

Human Metabolome Database ID

HMDB0031052

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

XCXKZBWAKKPFCJ-UHFFFAOYSA-N

UNII

LW5WI8V19D

2 references

stated in

Global Substance Registration System

UNII

LW5WI8V19D

language of work or name

English

title

hexadecan-2-one (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

XCXKZBWAKKPFCJ-UHFFFAOYSA-N

Natural Product Atlas ID

NPA004053

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

XCXKZBWAKKPFCJ-UHFFFAOYSA-N

LIPID MAPS ID

LMFA12000187

1 reference

stated in

LIPID MAPS

reference URL

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

retrieved

30 June 2018

 

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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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