5,8,11-Trioxododecanoic acid (CHEBI:188565)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	5,8,11-Trioxododecanoic acid

ChEBI ID	CHEBI:188565

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H18O5

Net Charge

Average Mass

242.271

Monoisotopic Mass

242.11542

InChI

InChI=1S/C12H18O5/c1-9(13)5-6-11(15)8-7-10(14)3-2-4-12(16)17/h2-8H2,1H3,(H,16,17)

InChIKey

WFONHNWPZAWQJD-UHFFFAOYSA-N

SMILES

O=C(CCC(=O)CCC(=O)C)CCCC(O)=O

Metabolite of Species	Details
Phyllostachys violascens (NCBI:txid1903417)	Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	5,8,11-Trioxododecanoic acid (CHEBI:188565) is a oxo carboxylic acid (CHEBI:25754)

IUPAC Name

5,8,11-trioxododecanoic acid