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CHEBI:30832 - adipic acid

ChEBI IDCHEBI:30832
ChEBI Nameadipic acid
Stars
DefinitionAn α,ω-dicarboxylic acid that is the 1,4-dicarboxy derivative of butane.
Secondary ChEBI IDsCHEBI:2489, CHEBI:22268
Last Modified24 February 2022
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H10O4
Net Charge0
Average Mass146.142
Monoisotopic Mass146.05791
SMILESO=C(O)CCCCC(=O)O
InChIInChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChIKeyWNLRTRBMVRJNCN-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
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 Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
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.
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-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
adipic acidIUPAC
1,4-butanedicarboxylic acidNIST Chemistry WebBook
1,6-hexanedioic acidNIST Chemistry WebBook
adipinic acidNIST Chemistry WebBook
AdipinsäureChEBI
E-355ChEBI
Manual XrefsDatabases
C06104KEGG COMPOUND
LMFA01170048LIPID MAPS
0L1PDBeChem
HMDB0000448HMDB
ADIPATEMetaCyc
Adipic_acidWikipedia
C00001178KNApSAcK
D08839KEGG DRUG
3474DrugCentral
174FAO/WHO standards
Registry NumbersSources
Gmelin:3166Gmelin
Reaxys:1209788Reaxys
CAS:124-04-9KEGG COMPOUND
CAS:124-04-9ChemIDplus
CAS:124-04-9NIST Chemistry WebBook
Citations