hexadecan-2-one (Q27283217)

Hexadecan-2-one (English)

14 October 2016

chemical formula

C₁₆H₃₂O

1 reference

Hexadecan-2-one (English)

14 October 2016

canonical SMILES

CCCCCCCCCCCCCCC(=O)C

1 reference

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

Hexadecan-2-one (English)

14 October 2016

1 reference

Quercus agrifolia

1 reference

Volatile components of california live oak, quercus agrifolia

Hamamelis virginiana

1 reference

Study on the composition of the volatile fraction of Hamamelis virginiana

Aster scaber

1 reference

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

Humulus lupulus

1 reference

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

Hexadecan-2-one (English)

14 October 2016

1 reference

Global Substance Registration System

Hexadecan-2-one (English)

14 October 2016

2 references

hexadecan-2-one (English)

14 October 2016

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

9 April 2021

1 reference

2-Hexadecanone (English)

14 October 2016

2 references

Hexadecan-2-one (English)

14 October 2016

ChEBI ID

179359

mapping relation type

exact match

2 references

ChEBI release 2022-06-13

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

1 reference

CHEMBL3273568 (English)

14 October 2016

2 references

inferred from InChIKey

MSBNK-Fac_Eng_Univ_Tokyo-JP008595

1 reference

MassBank accession ID

0 references

SPLASH

splash10-0a4l-9000000000-5d631cf5b1a8da2be734

0 references

DSSTox substance ID

DTXSID10172101

2 references

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

DSSTOX compound identifier

DTXCID8094592

0 references

EC number

242-571-0

1 reference

Global Substance Registration System

hexadecan-2-one (English)

ECHA Substance Infocard ID

14 October 2016

100.038.685

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.038.685

27 December 2018

Human Metabolome Database ID

Hexadecan-2-one (English)

quotation

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

HMDB0031052

2 references

based on heuristic

inferred from InChIKey

2 references

Global Substance Registration System

hexadecan-2-one (English)

14 October 2016

Natural Product Atlas ID

NPA004053

2 references

based on heuristic

inferred from InChIKey

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

1 reference