octadecanedioic acid (CHEBI:133086)

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ChEBI Name	octadecanedioic acid

ChEBI ID	CHEBI:133086

Definition	An α,ω-dicarboxylic acid that is octadecane in which both terminal methyl groups have been replaced by carboxy groups.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C18H34O4

Net Charge

Average Mass

314.461

Monoisotopic Mass

314.24571

InChI

InChI=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)

InChIKey

BNJOQKFENDDGSC-UHFFFAOYSA-N

SMILES

C(CCCCCCCC(=O)O)CCCCCCCCC(=O)O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. (via octadecane ) plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. (via octadecane )

ChEBI Ontology
Outgoing	octadecanedioic acid (CHEBI:133086) is a α,ω-dicarboxylic acid (CHEBI:28383) octadecanedioic acid (CHEBI:133086) is a octadecane (CHEBI:32926) 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	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	Sources
1,16-Hexadecanedicarboxylic acid	HMDB
1,18-Octadecadioic acid	NIST Chemistry WebBook
1,18-octadecanedioic acid	ChEBI
Octadecane-1,18-dioic acid	ChemIDplus

Last Modified

19 August 2016