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CHEBI:227007 - Asperitaconic acid C

ChEBI IDCHEBI:227007
ChEBI NameAsperitaconic acid C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H16O5
Net Charge0
Average Mass228.244
Monoisotopic Mass228.09977
SMILESC=C(C(=O)O)[C@H](CCCCC(C)=O)C(=O)O
InChIInChI=1S/C11H16O5/c1-7(12)5-3-4-6-9(11(15)16)8(2)10(13)14/h9H,2-6H2,1H3,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeyIGSGZWAWTKVRCR-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Aspergillus niger (ncbitaxon:5061) - PubMed (29973682)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Asperitaconic acid C (CHEBI:227007) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name 
(3S)-2-methylidene-3-(5-oxohexyl)butanedioic acid
Manual XrefsDatabases
71048470ChemSpider