pimelic acid (CHEBI:30531)

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ChEBI Name	pimelic acid

ChEBI ID	CHEBI:30531

Definition	An α,ω-dicarboxylic acid that is pentane with two carboxylic acid groups at positions C-1 and C-5.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:20709, CHEBI:44980, CHEBI:24517

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Formula

C7H12O4

Net Charge

Average Mass

160.16778

Monoisotopic Mass

160.07356

InChI

InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)

InChIKey

WLJVNTCWHIRURA-UHFFFAOYSA-N

SMILES

OC(=O)CCCCCC(O)=O

Metabolite of Species	Details
Daphnia magna (NCBI:txid35525)	See: Mixtures of similarly acting compounds in Daphnia magna: From gene to metabolite and beyondTine Vandenbrouck, Oliver A.H. Jones, Nathalie Dom, Julian L. Griffin, Wim De CoenEnvironment International 36 (2010) 254-268
Escherichia coli (NCBI:txid562)	See: PubMed

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

Biological Role(s):	Daphnia magna metabolite A Daphnia metabolite produced by the species Daphnia magna. Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.

ChEBI Ontology
Outgoing	pimelic acid (CHEBI:30531) has role Daphnia magna metabolite (CHEBI:83056) pimelic acid (CHEBI:30531) has role Escherichia coli metabolite (CHEBI:76971) pimelic acid (CHEBI:30531) is a α,ω-dicarboxylic acid (CHEBI:28383) pimelic acid (CHEBI:30531) is a dicarboxylic fatty acid (CHEBI:189840) pimelic acid (CHEBI:30531) is conjugate acid of pimelate (CHEBI:133773) pimelic acid (CHEBI:30531) is conjugate acid of pimelate(1−) (CHEBI:17774)

Incoming	(S)-2-amino-6-oxopimelic acid (CHEBI:28245) has functional parent pimelic acid (CHEBI:30531) 2,6-diaminopimelic acid (CHEBI:23673) has functional parent pimelic acid (CHEBI:30531) 2-oxopimelic acid (CHEBI:72700) has functional parent pimelic acid (CHEBI:30531) 3-oxopimelic acid (CHEBI:37259) has functional parent pimelic acid (CHEBI:30531) 4-hydroxy-2-oxoheptanedioic acid (CHEBI:73089) has functional parent pimelic acid (CHEBI:30531) O-pimelylcarnitine (CHEBI:86084) has functional parent pimelic acid (CHEBI:30531) L-2-succinylamino-6-oxoheptanedioic acid (CHEBI:35266) has functional parent pimelic acid (CHEBI:30531) pimeloyl-CoA (CHEBI:15504) has functional parent pimelic acid (CHEBI:30531) pimelate (CHEBI:133773) is conjugate base of pimelic acid (CHEBI:30531) pimelate(1−) (CHEBI:17774) is conjugate base of pimelic acid (CHEBI:30531)

IUPAC Name

heptanedioic acid

Last Modified

23 February 2022