(Q27255310)

4-OXONONANOIC ACID (English)

14 October 2016

chemical formula

C₉H₁₆O₃

1 reference

4-OXONONANOIC ACID (English)

14 October 2016

canonical SMILES

CCCCCC(=O)CCC(=O)O

1 reference

Volatile acids of sun-cured greek Nicotiana tabacum

4-OXONONANOIC ACID (English)

14 October 2016

1 reference

Identifiers

InChI

InChI=1S/C9H16O3/c1-2-3-4-5-8(10)6-7-9(11)12/h2-7H2,1H3,(H,11,12)

1 reference

4-OXONONANOIC ACID (English)

14 October 2016

1 reference

Global Substance Registration System

4-OXONONANOIC ACID (English)

14 October 2016

1 reference

UNII

2P2N5565DE

4-oxononanoic acid (English)

14 October 2016

1 reference

4-Oxononanoic acid (English)

14 October 2016

2 references

4-OXONONANOIC ACID (English)

14 October 2016

ChEBI ID

179514

mapping relation type

exact match

2 references

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C9H16O3/c1-2-3-4-5-8(10)6-7-9(11)12/h2-7H2,1H3,(H,11,12)

SureChEMBL ID

SCHEMBL449947

2 references

based on heuristic

inferred from InChIKey

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

1 reference

2 references

DSSTOX compound identifier

DTXCID70131936

0 references

EC number

806-154-2

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.233.202

27 December 2018

ECHA Substance Infocard ID

[No public or meaningful name is available] (English)

quotation

CAS no.: 6064-52-4 (English)

100.233.202

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.233.202

27 December 2018

[No public or meaningful name is available] (English)

quotation

CAS no.: 6064-52-4 (English)

UNII

2P2N5565DE

2 references

Global Substance Registration System

UNII

2P2N5565DE

4-oxononanoic acid (English)

14 October 2016

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

1 reference