CHEBI:89192 - 2-Octenedioic acid

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ChEBI Name 2-Octenedioic acid
ChEBI ID CHEBI:89192
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C8H12O4
Net Charge 0
Average Mass 172.179
Monoisotopic Mass 172.07356
InChI InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6-8(11)12/h3,5H,1-2,4,6H2,(H,9,10)(H,11,12)/b5-3+
InChIKey BNTPVRGYUHJFHN-HWKANZROSA-N
SMILES OC(=O)CCCC/C=C/C(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: MetaGene: http://www.metagene.de/program/d.prg?mp=MEDIUM%20CHAIN%20ACYL-COA%20DEHYDROGENASE%20DEFICIENCY%20(MCAD)
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-Octenedioic acid (CHEBI:89192) is a dicarboxylic fatty acid (CHEBI:189840)
2-Octenedioic acid (CHEBI:89192) is a monounsaturated fatty acid (CHEBI:25413)
Synonyms Sources
(2E)-oct-2-enedioic acid HMDB
1-Hexene-1,6-dicarboxylate HMDB
1-Hexene-1,6-dicarboxylic acid HMDB
2-Octenedioate HMDB
Manual Xref Database
HMDB0000341 HMDB
View more database links
Registry Number Type Source
5698-50-0 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
2094705 PubMed citation Europe PMC
2614263 PubMed citation Europe PMC
Last Modified
24 January 2023