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CHEBI:89192 - 2-Octenedioic acid

ChEBI IDCHEBI:89192
ChEBI Name2-Octenedioic acid
Stars
Last Modified24 January 2023
DownloadsMolfile
FormulaC8H12O4
Net Charge0
Average Mass172.180
Monoisotopic Mass172.07356
SMILESO=C(O)/C=C/CCCCC(=O)O
InChIInChI=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+
InChIKeyBNTPVRGYUHJFHN-HWKANZROSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) Article (MetaGene: http://www.metagene.de/program/d.prg?mp=MEDIUM%20CHAIN%20ACYL-COA%20DEHYDROGENASE%20DEFICIENCY%20(MCAD))
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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  Source
1-Hexene-1,6-dicarboxylateHMDB
1-Hexene-1,6-dicarboxylic acidHMDB
(2E)-oct-2-enedioic acidHMDB
2-OctenedioateHMDB
Manual XrefsDatabases
HMDB0000341HMDB
Registry NumbersSources
CAS:5698-50-0KEGG COMPOUND
Citations