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CHEBI:133827 - tensyuic acid B
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ChEBI Name
tensyuic acid B
ChEBI ID
CHEBI:133827
Definition
A 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.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Julian Brandl
Supplier Information
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Molfile
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Molfile
Formula
C12H18O6
Net Charge
0
Average Mass
258.268
Monoisotopic Mass
258.11034
InChI
InChI=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)
InChIKey
ZMTXIFCPSXJBPW-UHFFFAOYSA-N
SMILES
C(CCC(C(=C)C(O)=O)C(O)=O)CCC(OC)=O
Metabolite of Species
Details
Aspergillus niger
(NCBI:txid5061)
Culture broth of Aspergillus niger FKI-2342 isolated from soil collected at Ooura Tensyudou, Nagasaki, Japan of strain FKI-2342 See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould,
Aspergillus
.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
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
Sources
(−)-2-(6-methoxy-6-oxohexyl)-3-methylenesuccinic acid
ChEBI
(−)-2-(6-methoxy-6-oxohexyl)-3-methylidenebutanedioic acid
ChEBI
(−)-tensyuic acid B
ChEBI
Registry Number
Type
Source
11209667
Reaxys Registry Number
Reaxys
Citation
Type
Source
17827758
PubMed citation
Europe PMC
Last Modified
01 November 2016