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CHEBI:133831 - tensyuic acid E

ChEBI IDCHEBI:133831
ChEBI Nametensyuic acid E
Stars
DefinitionA tensyuic acid that is itaconic acid which has been substituted at position 3 by a 7-(methoxycarbonyl)heptanyl group. The (+)-isomer, isolated from Aspergillus niger FKI-2342.
Last Modified1 November 2016
SubmitterJubra
DownloadsMolfile
FormulaC14H22O6
Net Charge0
Average Mass286.324
Monoisotopic Mass286.14164
SMILESC=C(C(=O)O)C(CCCCCCCC(=O)OC)C(=O)O
InChIInChI=1S/C14H22O6/c1-10(13(16)17)11(14(18)19)8-6-4-3-5-7-9-12(15)20-2/h11H,1,3-9H2,2H3,(H,16,17)(H,18,19)
InChIKeyIOUNJEVHPQCKKE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus niger (ncbitaxon:5061) - PubMed (17827758) Culture broth of Aspergillus niger FKI-2342 isolated from soil collected at Ooura Tensyudou, Nagasaki, Japan Strain: FKI-2342
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
tensyuic acid E (CHEBI:133831) has role Aspergillus metabolite (CHEBI:76956)
tensyuic acid E (CHEBI:133831) is a dicarboxylic acid (CHEBI:35692)
tensyuic acid E (CHEBI:133831) is a methyl ester (CHEBI:25248)
tensyuic acid E (CHEBI:133831) is a tensyuic acid (CHEBI:133873)
IUPAC Names 
(3Ξ)-2-(8-methoxy-8-oxooctyl)-3-methylidenebutanedioic acid
(3Ξ)-2-(8-methoxy-8-oxooctyl)-3-methylenesuccinic acid
Synonyms  Source
(+)-2-(8-methoxy-8-oxooctyl)-3-methylidenebutanedioic acidChEBI
(+)-tensyuic acid EChEBI
(+)-2-(8-methoxy-8-oxooctyl)-3-methylenesuccinic acidChEBI
Citations