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CHEBI:133827 - tensyuic acid B

ChEBI IDCHEBI:133827
ChEBI Nametensyuic acid B
Stars
DefinitionA tensyuic acid that is itaconic acid which has been substituted at position 3 by a 5-(methoxycarbonyl)pentyl group. The (−)-isomer, isolated from Aspergillus niger FKI-2342.
Last Modified1 November 2016
SubmitterJubra
DownloadsMolfile
FormulaC12H18O6
Net Charge0
Average Mass258.270
Monoisotopic Mass258.11034
SMILESC=C(C(=O)O)C(CCCCCC(=O)OC)C(=O)O
InChIInChI=1S/C12H18O6/c1-8(11(14)15)9(12(16)17)6-4-3-5-7-10(13)18-2/h9H,1,3-7H2,2H3,(H,14,15)(H,16,17)
InChIKeyZMTXIFCPSXJBPW-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 B (CHEBI:133827) has role Aspergillus metabolite (CHEBI:76956)
tensyuic acid B (CHEBI:133827) is a dicarboxylic acid (CHEBI:35692)
tensyuic acid B (CHEBI:133827) is a methyl ester (CHEBI:25248)
tensyuic acid B (CHEBI:133827) is a tensyuic acid (CHEBI:133873)
Incoming Relation(s)
tensyuic acid D (CHEBI:133830) has functional parent tensyuic acid B (CHEBI:133827)
IUPAC Names 
(2Ξ)-2-(6-methoxy-6-oxohexyl)-3-methylenesuccinic acid
(2Ξ)-2-(6-methoxy-6-oxohexyl)-3-methylidenebutanedioic acid
Synonyms  Source
(−)-2-(6-methoxy-6-oxohexyl)-3-methylidenebutanedioic acidChEBI
(−)-2-(6-methoxy-6-oxohexyl)-3-methylenesuccinic acidChEBI
(−)-tensyuic acid BChEBI
Registry NumbersSources
Reaxys:11209667Reaxys
Citations