EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:133086 - octadecanedioic acid

ChEBI IDCHEBI:133086
ChEBI Nameoctadecanedioic acid
Stars
DefinitionAn α,ω-dicarboxylic acid that is octadecane in which both terminal methyl groups have been replaced by carboxy groups.
Last Modified21 February 2025
SubmitterSteve
DownloadsMolfile
FormulaC18H34O4
Net Charge0
Average Mass314.466
Monoisotopic Mass314.24571
SMILESO=C(O)CCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C18H34O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-16H2,(H,19,20)(H,21,22)
InChIKeyBNJOQKFENDDGSC-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
octadecanedioic acid (CHEBI:133086) has parent hydride octadecane (CHEBI:32926)
octadecanedioic acid (CHEBI:133086) is a α,ω-dicarboxylic acid (CHEBI:28383)
octadecanedioic acid (CHEBI:133086) is conjugate acid of octadecanedioate (CHEBI:133087)
octadecanedioic acid (CHEBI:133086) is conjugate acid of octadecanedioic acid anion (CHEBI:133088)
Incoming Relation(s)
octadecanedioate (CHEBI:133087) is conjugate base of octadecanedioic acid (CHEBI:133086)
octadecanedioic acid anion (CHEBI:133088) is conjugate base of octadecanedioic acid (CHEBI:133086)
IUPAC Name 
octadecanedioic acid
Synonyms  Source
1,16-Hexadecanedicarboxylic acidHMDB
Octadecane-1,18-dioic acidChemIDplus
1,18-octadecanedioic acidChEBI
1,18-Octadecadioic acidNIST Chemistry WebBook
Manual XrefsDatabases
LMFA01170029LIPID MAPS
HMDB0000782HMDB
Registry NumbersSources
Reaxys:1796419Reaxys
CAS:871-70-5ChemIDplus
CAS:871-70-5NIST Chemistry WebBook