sebacic acid (CHEBI:41865)

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ChEBI Name	sebacic acid

ChEBI ID	CHEBI:41865

Definition	An α,ω-dicarboxylic acid that is the 1,8-dicarboxy derivative of octane.

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

Secondary ChEBI IDs	CHEBI:41860, CHEBI:9071

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Formula

C10H18O4

Net Charge

Average Mass

202.24752

Monoisotopic Mass

202.12051

InChI

InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)

InChIKey

CXMXRPHRNRROMY-UHFFFAOYSA-N

SMILES

OC(=O)CCCCCCCCC(O)=O

Metabolite of Species	Details
Caesalpinia pulcherrima (NCBI:txid53846)	Found in stem (BTO:0001300). See: DOI
Homo sapiens (NCBI:txid9606)	See: PubMed

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):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	sebacic acid (CHEBI:41865) has parent hydride decane (CHEBI:41808) sebacic acid (CHEBI:41865) has role human metabolite (CHEBI:77746) sebacic acid (CHEBI:41865) has role plant metabolite (CHEBI:76924) sebacic acid (CHEBI:41865) is a α,ω-dicarboxylic acid (CHEBI:28383) sebacic acid (CHEBI:41865) is a dicarboxylic fatty acid (CHEBI:189840) sebacic acid (CHEBI:41865) is conjugate acid of sebacate (CHEBI:132954) sebacic acid (CHEBI:41865) is conjugate acid of sebacate(2−) (CHEBI:76283)

Incoming	3-hydroxysebacic acid (CHEBI:89182) has functional parent sebacic acid (CHEBI:41865) decanedioyl-CoA (CHEBI:76345) has functional parent sebacic acid (CHEBI:41865) dimethyl sebacate (CHEBI:194205) has functional parent sebacic acid (CHEBI:41865) sebacate (CHEBI:132954) is conjugate base of sebacic acid (CHEBI:41865) sebacate(2−) (CHEBI:76283) is conjugate base of sebacic acid (CHEBI:41865)

IUPAC Name

decanedioic acid

Last Modified

10 January 2023