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CHEBI:73728 - icosanedioic acid

ChEBI IDCHEBI:73728
ChEBI Nameicosanedioic acid
Stars
DefinitionAn α,ω-dicarboxylic acid that is the 1,18-dicarboxy derivative of octadecane.
Last Modified25 August 2016
Submittermwilliams
DownloadsMolfile
FormulaC20H38O4
Net Charge0
Average Mass342.520
Monoisotopic Mass342.27701
SMILESO=C(O)CCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C20H38O4/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24/h1-18H2,(H,21,22)(H,23,24)
InChIKeyJJOJFIHJIRWASH-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)
icosanedioic acid (CHEBI:73728) has parent hydride icosane (CHEBI:43619)
icosanedioic acid (CHEBI:73728) has role metabolite (CHEBI:25212)
icosanedioic acid (CHEBI:73728) is a α,ω-dicarboxylic acid (CHEBI:28383)
icosanedioic acid (CHEBI:73728) is conjugate acid of icosanedioic acid anion (CHEBI:133143)
Incoming Relation(s)
icosanedioic acid anion (CHEBI:133143) is conjugate base of icosanedioic acid (CHEBI:73728)
IUPAC Name 
icosanedioic acid
Synonyms  Source
eicosa-1,20-dioic acidChEBI
1,20-icosanedioic acidChEBI
octadecane-1,18-dicarboxylic acidChEBI
1,18-octadecanedicarboxylic acidChEBI
eicosanedioic acidChEBI
Manual XrefsDatabases
LMFA01170035LIPID MAPS
Registry NumbersSources
Reaxys:1799665Reaxys
CAS:2424-92-2ChemIDplus
Citations