CHEBI:41865 - sebacic acid

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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 0
Average Mass 202.24752
Monoisotopic Mass 202.121
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:53846) Found in stem (BTO:0001300). See: DOI
Homo sapiens (NCBI:9606) 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.
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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 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)
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
Synonyms Sources
1,10-decanedioic acid NIST Chemistry WebBook
1,8-dicarboxyoctane ChEBI
Decanedioic acid KEGG COMPOUND
Sebacic acid KEGG COMPOUND
SEBACIC ACID PDBeChem
Sebacinsäure ChEBI
Database Links Databases
C00001202 KNApSAcK
C08277 KEGG COMPOUND
CPD-3623 MetaCyc
DB07645 DrugBank
DEC PDBeChem
HMDB0000792 HMDB
LMFA01170006 LIPID MAPS
Sebacic_acid Wikipedia
View more database links
Registry Numbers Types Sources
102423 Gmelin Registry Number Gmelin
111-20-6 CAS Registry Number NIST Chemistry WebBook
111-20-6 CAS Registry Number ChemIDplus
1210591 Beilstein Registry Number ChemIDplus
1210591 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
22770225 PubMed citation Europe PMC
9439441 PubMed citation Europe PMC
Last Modified
09 August 2016