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CHEBI:30531 - pimelic acid
| Formula | C7H12O4 |
| Net Charge | 0 |
| Average Mass | 160.169 |
| Monoisotopic Mass | 160.07356 |
| SMILES | O=C(O)CCCCCC(=O)O |
| 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 |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Daphnia magna (ncbitaxon:35525) | - | Article (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 (ncbitaxon:562) | - | PubMed (21437340) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. Daphnia magna metabolite A Daphnia metabolite produced by the species Daphnia magna. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 dicarboxylic fatty acid (CHEBI:189840) |
| pimelic acid (CHEBI:30531) is a α,ω-dicarboxylic acid (CHEBI:28383) |
| pimelic acid (CHEBI:30531) is conjugate acid of pimelate (CHEBI:133773) |
| pimelic acid (CHEBI:30531) is conjugate acid of pimelate(1−) (CHEBI:17774) |
| Incoming Relation(s) |
| (S)-2-amino-6-oxopimelic acid (CHEBI:28245) 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) |
| 2-oxopimelic acid (CHEBI:72700) has functional parent pimelic acid (CHEBI:30531) |
| 2,6-diaminopimelic acid (CHEBI:23673) 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) |
| 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 |
| Synonyms | Source |
|---|---|
| 6-carboxyhexanoic acid | ChEBI |
| 1,5-pentanedicarboxylic acid | ChemIDplus |
| Pimelate | KEGG COMPOUND |
| Pimelic acid | KEGG COMPOUND |
| Heptanedioic acid | KEGG COMPOUND |
| PIMELIC ACID | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| C02656 | KEGG COMPOUND |
| PML | PDBeChem |
| LMFA01170051 | LIPID MAPS |
| DB01856 | DrugBank |
| HMDB0000857 | HMDB |
| Pimelic_acid | Wikipedia |
| CPD-205 | MetaCyc |
| C00001199 | KNApSAcK |
| Registry Numbers | Sources |
|---|---|
| Gmelin:261058 | Gmelin |
| Reaxys:1210024 | Reaxys |
| CAS:111-16-0 | ChemIDplus |
| CAS:111-16-0 | KEGG COMPOUND |
| Citations |
|---|