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tensidol B (CHEBI:64472)

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ChEBI Name tensidol B
ChEBI ID CHEBI:64472
Definition A furopyrrole that is tensidol A in which the hydroxy group attached to the pyrrole ring has been acylated by formal condensation with the 4-carboxy group of 2-methylbutanedioic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
See structure as:  Image  Applet
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Formula Source
C18H17NO6 ChEBI
Net Charge 0
Average Mass 343.33070
InChI
InChI=1S/C18H17NO6/c1-11(18(22)23)7-15(21)25-14-9-19(8-12-5-3-2-4-6-12)17-16(14)13(20)10-24-17/h2-6,9-11,20H,7-8H2,1H3,(H,22,23)
InChIKey
LDZBUYXPAQBTQJ-UHFFFAOYSA-N
SMILES
CC(CC(=O)Oc1cn(Cc2ccccc2)c2occ(O)c12)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more on the ChEBI Ontology
ChEBI Ontology
Outgoing tensidol B (CHEBI:64472) has functional parent tensidol A (CHEBI:64470)
tensidol B (CHEBI:64472) has role metabolite (CHEBI:25212)
tensidol B (CHEBI:64472) is a dicarboxylic acid monoester (CHEBI:36244)
tensidol B (CHEBI:64472) is a furopyrrole (CHEBI:64471)
IUPAC Name
4-[(6-benzyl-3-hydroxy-6H-furo[2,3-b]pyrrol-4-yl)oxy]-2-methyl-4-oxobutanoic acid
Synonym Source
4-[(6-benzyl-3-hydroxy-6H-furo[2,3-b]pyrrol-4-yl)oxy]-2-methyl-4-oxobutyric acid ChEBI
Registry Number Type Source
21944349 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
17080684 PubMed citation CiteXplore
20461106 PubMed citation CiteXplore
Last Modified
01 May 2012

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