CHEBI:30531 - pimelic acid

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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 0
Average Mass 160.16778
Monoisotopic Mass 160.074
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:35525) 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:562) 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.
View more via ChEBI Ontology
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 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(1−) (CHEBI:17774) is conjugate base of pimelic acid (CHEBI:30531)
IUPAC Name
heptanedioic acid
Synonyms Sources
1,5-pentanedicarboxylic acid ChemIDplus
6-carboxyhexanoic acid ChEBI
Heptanedioic acid KEGG COMPOUND
Pimelate KEGG COMPOUND
PIMELIC ACID PDBeChem
pimelic acid UniProt
Pimelic acid KEGG COMPOUND
Database Links Databases
C00001199 KNApSAcK
C02656 KEGG COMPOUND
CPD-205 MetaCyc
DB01856 DrugBank
HMDB00857 HMDB
LMFA01170051 LIPID MAPS
Pimelic_acid Wikipedia
PML PDBeChem
View more database links
Registry Numbers Types Sources
111-16-0 CAS Registry Number KEGG COMPOUND
111-16-0 CAS Registry Number ChemIDplus
1210024 Reaxys Registry Number Reaxys
1210024 Beilstein Registry Number Beilstein
261058 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
20693992 PubMed citation Europe PMC
21437340 PubMed citation Europe PMC
22770225 PubMed citation Europe PMC
24486440 PubMed citation Europe PMC
Last Modified
23 October 2015