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CHEBI:76319 - docosanedioic acid

ChEBI IDCHEBI:76319
ChEBI Namedocosanedioic acid
Stars
DefinitionAn α,ω-dicarboxylic acid that is docosane in which the methyl groups have been oxidised to the corresponding carboxylic acids.
Last Modified24 February 2022
SubmitterSteve
DownloadsMolfile
FormulaC22H42O4
Net Charge0
Average Mass370.574
Monoisotopic Mass370.30831
SMILESO=C(O)CCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C22H42O4/c23-21(24)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(25)26/h1-20H2,(H,23,24)(H,25,26)
InChIKeyDGXRZJSPDXZJFG-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
docosanedioic acid (CHEBI:76319) has parent hydride docosane (CHEBI:46050)
docosanedioic acid (CHEBI:76319) has role metabolite (CHEBI:25212)
docosanedioic acid (CHEBI:76319) is a dicarboxylic fatty acid (CHEBI:189840)
docosanedioic acid (CHEBI:76319) is a α,ω-dicarboxylic acid (CHEBI:28383)
docosanedioic acid (CHEBI:76319) is conjugate acid of docosanedioate(2−) (CHEBI:76299)
Incoming Relation(s)
docosanedioate(2−) (CHEBI:76299) is conjugate base of docosanedioic acid (CHEBI:76319)
IUPAC Name 
docosanedioic acid
Synonyms  Source
Felogenic acidChemIDplus
1,20-Eicosanedicarboxylic acidChemIDplus
Phellogenic acidChemIDplus
1,20-icosanedicarboxylic acidChEBI
1,22-Docosanedioic acidChemIDplus
Manual XrefsDatabases
C19625KEGG COMPOUND
LMFA01170037LIPID MAPS
CPD-13101MetaCyc
Registry NumbersSources
Reaxys:1801600Reaxys
CAS:505-56-6ChemIDplus
Citations