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CHEBI:30832 - adipic acid
| Formula | C6H10O4 |
| Net Charge | 0 |
| Average Mass | 146.142 |
| Monoisotopic Mass | 146.05791 |
| SMILES | O=C(O)CCCCC(=O)O |
| InChI | InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10) |
| InChIKey | WNLRTRBMVRJNCN-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) | xenobiotic metabolite |
| Roles Classification |
|---|
| Chemical Roles: | food acidity regulator A food additive that is used to change or otherwise control the acidity or alkalinity of foods. They may be acids, bases, neutralising agents or buffering agents. Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | food acidity regulator A food additive that is used to change or otherwise control the acidity or alkalinity of foods. They may be acids, bases, neutralising agents or buffering agents. human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. |
| Application: | food acidity regulator A food additive that is used to change or otherwise control the acidity or alkalinity of foods. They may be acids, bases, neutralising agents or buffering agents. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| adipic acid (CHEBI:30832) has role food acidity regulator (CHEBI:64049) |
| adipic acid (CHEBI:30832) has role human xenobiotic metabolite (CHEBI:76967) |
| adipic acid (CHEBI:30832) is a dicarboxylic fatty acid (CHEBI:189840) |
| adipic acid (CHEBI:30832) is a α,ω-dicarboxylic acid (CHEBI:28383) |
| adipic acid (CHEBI:30832) is conjugate acid of adipate(1−) (CHEBI:30833) |
| Incoming Relation(s) |
| O-adipoylcarnitine (CHEBI:68568) has functional parent adipic acid (CHEBI:30832) |
| L-2-aminoadipic acid (CHEBI:37023) has functional parent adipic acid (CHEBI:30832) |
| 2-amino-3-oxoadipic acid (CHEBI:28095) has functional parent adipic acid (CHEBI:30832) |
| 2-chloro-3-oxoadipic acid (CHEBI:19500) has functional parent adipic acid (CHEBI:30832) |
| 2-hydroxy-3-oxoadipic acid (CHEBI:16278) has functional parent adipic acid (CHEBI:30832) |
| 2-hydroxyadipic acid (CHEBI:17023) has functional parent adipic acid (CHEBI:30832) |
| 2-oxoadipic acid (CHEBI:15753) has functional parent adipic acid (CHEBI:30832) |
| 2,3,5-trihydroxy-4-phosphonooxyadipic acid (CHEBI:73968) has functional parent adipic acid (CHEBI:30832) |
| 2,4-dichloro-3-oxoadipic acid (CHEBI:177909) has functional parent adipic acid (CHEBI:30832) |
| 3-aminoadipic acid (CHEBI:64303) has functional parent adipic acid (CHEBI:30832) |
| 3-methyladipic acid (CHEBI:68503) has functional parent adipic acid (CHEBI:30832) |
| 3-methyladipic acid coa (CHEBI:233750) has functional parent adipic acid (CHEBI:30832) |
| 3-oxoadipic acid (CHEBI:37440) has functional parent adipic acid (CHEBI:30832) |
| 4-hydroxy-4-methyl-2-oxoadipic acid (CHEBI:28204) has functional parent adipic acid (CHEBI:30832) |
| 5-adenylyl-2-aminoadipic acid (CHEBI:20536) has functional parent adipic acid (CHEBI:30832) |
| 6-(2-hydroxyethoxy)-6-oxohexanoic acid (CHEBI:84086) has functional parent adipic acid (CHEBI:30832) |
| adipoyl-CoA (CHEBI:34528) has functional parent adipic acid (CHEBI:30832) |
| bis(2-ethylhexyl) adipate (CHEBI:34675) has functional parent adipic acid (CHEBI:30832) |
| di-(N-succinimidyl) adipate (CHEBI:141202) has functional parent adipic acid (CHEBI:30832) |
| adipate(1−) (CHEBI:30833) is conjugate base of adipic acid (CHEBI:30832) |
| hexanedioyl group (CHEBI:48082) is substituent group from adipic acid (CHEBI:30832) |
| IUPAC Name |
|---|
| hexanedioic acid |
| Synonyms | Source |
|---|---|
| 1,4-butanedicarboxylic acid | NIST Chemistry WebBook |
| 1,6-hexanedioic acid | NIST Chemistry WebBook |
| adipic acid | IUPAC |
| Adipic acid | KEGG COMPOUND |
| Adipidic acid | ChEMBL |
| adipinic acid | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| 0L1 | PDBeChem |
| 174 | FAO/WHO standards |
| 3474 | DrugCentral |
| ADIPATE | MetaCyc |
| Adipic_acid | Wikipedia |
| C00001178 | KNApSAcK |
| C06104 | KEGG COMPOUND |
| D08839 | KEGG DRUG |
| HMDB0000448 | HMDB |
| LMFA01170048 | LIPID MAPS |
| Citations |
|---|