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CHEBI:4676 - dodecanedioic acid

ChEBI IDCHEBI:4676
ChEBI Namedodecanedioic acid
Stars
DefinitionAn α,ω-dicarboxylic acid that is dodecane in which the methyl groups have been oxidised to the corresponding carboxylic acids.
Last Modified24 February 2022
DownloadsMolfile
FormulaC12H22O4
Net Charge0
Average Mass230.304
Monoisotopic Mass230.15181
SMILESO=C(O)CCCCCCCCCCC(=O)O
InChIInChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16)
InChIKeyTVIDDXQYHWJXFK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- PubMed (9591306)
blood serum (BTO:0000133) MetaboLights (MTBLS90)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
EC 1.1.1.1 (alcohol dehydrogenase) inhibitor  An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD+ or NADP+ acceptor) inhibitor that interferes with the action of alcohol dehydrogenase (EC 1.1.1.1).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
dodecanedioic acid (CHEBI:4676) has parent hydride dodecane (CHEBI:28817)
dodecanedioic acid (CHEBI:4676) has role EC 1.1.1.1 (alcohol dehydrogenase) inhibitor (CHEBI:50269)
dodecanedioic acid (CHEBI:4676) has role human metabolite (CHEBI:77746)
dodecanedioic acid (CHEBI:4676) is a dicarboxylic fatty acid (CHEBI:189840)
dodecanedioic acid (CHEBI:4676) is a α,ω-dicarboxylic acid (CHEBI:28383)
dodecanedioic acid (CHEBI:4676) is conjugate acid of dodecanedioate(2−) (CHEBI:76273)
Incoming Relation(s)
O-dodecanedioylcarnitine (CHEBI:74121) has functional parent dodecanedioic acid (CHEBI:4676)
1,12-di-L-ascorbyl dodecanedioate (CHEBI:59753) has functional parent dodecanedioic acid (CHEBI:4676)
dodecanedioyl-CoA (CHEBI:76339) has functional parent dodecanedioic acid (CHEBI:4676)
dodecanedioate(2−) (CHEBI:76273) is conjugate base of dodecanedioic acid (CHEBI:4676)
IUPAC Name 
dodecanedioic acid
Synonyms  Source
Dodecanedioic acidKEGG COMPOUND
decamethylenedicarboxylic acidNIST Chemistry WebBook
1,10-decanedicarboxylic acidChemIDplus
1,12-dodecanedioic acidNIST Chemistry WebBook
1,10-dicarboxydecaneChemIDplus
Manual XrefsDatabases
C02678KEGG COMPOUND
LMFA01170009LIPID MAPS
HMDB0000623HMDB
CPD-10670MetaCyc
EP2407444Patent
WO2010085712Patent
EP2389349Patent
KR20110125221Patent
DE102007054497Patent
Registry NumbersSources
Gmelin:261693Gmelin
Reaxys:1782580Reaxys
CAS:693-23-2KEGG COMPOUND
CAS:693-23-2NIST Chemistry WebBook
CAS:693-23-2ChemIDplus
Citations