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CHEBI:133826 - tensyuic acid A

ChEBI IDCHEBI:133826
ChEBI Nametensyuic acid A
Stars
DefinitionA tensyuic acid that is itaconic acid which has been substituted at position 3 by a 3-(methoxycarbonyl)propyl group and in which the non-conjugated carboxy group has been converted to the corresponding methyl ester. The (+)-isomer, isolated from Aspergillus niger FKI-2342.
Last Modified1 November 2016
SubmitterJubra
DownloadsMolfile
FormulaC11H16O6
Net Charge0
Average Mass244.243
Monoisotopic Mass244.09469
SMILESC=C(C(=O)O)C(CCCC(=O)OC)C(=O)OC
InChIInChI=1S/C11H16O6/c1-7(10(13)14)8(11(15)17-3)5-4-6-9(12)16-2/h8H,1,4-6H2,2-3H3,(H,13,14)
InChIKeyMDFIHAYHEBXNCC-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 A (CHEBI:133826) has role Aspergillus metabolite (CHEBI:76956)
tensyuic acid A (CHEBI:133826) is a methyl ester (CHEBI:25248)
tensyuic acid A (CHEBI:133826) is a tensyuic acid (CHEBI:133873)
IUPAC Names 
(3Ξ)-7-methoxy-3-(methoxycarbonyl)-2-methylene-7-oxoheptanoic acid
(3Ξ)-7-methoxy-3-(methoxycarbonyl)-2-methylidene-7-oxoheptanoic acid
Synonyms  Source
(+)-tensyuic acid AChEBI
(+)-7-methoxy-3-(methoxycarbonyl)-2-methylene-7-oxoheptanoic acidChEBI
(+)-7-methoxy-3-(methoxycarbonyl)-2-methylidene-7-oxoheptanoic acidChEBI
Registry NumbersSources
Reaxys:11209666Reaxys
Citations