CHEBI:133840 - yanuthone E

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ChEBI Name yanuthone E
ChEBI ID CHEBI:133840
Definition A class I yanuthone that is 22-deacetylyanuthone A in which the primary alcohol has been esterified by condensation with one of the carboxy groups of 3-hydroxy-3-methylglutaric acid.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Julian Brandl
Supplier Information
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Formula C28H40O8
Net Charge 0
Average Mass 504.613
Monoisotopic Mass 504.27232
InChI InChI=1S/C28H40O8/c1-18(2)8-6-9-19(3)10-7-11-20(4)12-13-28-22(29)14-21(25(33)26(28)36-28)17-35-24(32)16-27(5,34)15-23(30)31/h8,10,12,14,25-26,33-34H,6-7,9,11,13,15-17H2,1-5H3,(H,30,31)/b19-10+,20-12+/t25-,26-,27?,28+/m1/s1
InChIKey FNYGZAACUPOPCK-UUISPAEBSA-N
SMILES C/C(=C\CC\C(\C)=C\C[C@]12C(C=C([C@H]([C@H]1O2)O)COC(CC(CC(O)=O)(O)C)=O)=O)/CCC=C(C)C
Metabolite of Species Details
Aspergillus niger ATCC 1015 (NCBI:txid380704) See: PubMed
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): Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via meroterpenoid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing yanuthone E (CHEBI:133840) has functional parent 22-deacetylyanuthone A (CHEBI:133844)
yanuthone E (CHEBI:133840) has functional parent 3-hydroxy-3-methylglutaric acid (CHEBI:16831)
yanuthone E (CHEBI:133840) has role Aspergillus metabolite (CHEBI:76956)
yanuthone E (CHEBI:133840) is a class I yanuthone (CHEBI:133075)
yanuthone E (CHEBI:133840) is a dicarboxylic acid monoester (CHEBI:36244)
yanuthone E (CHEBI:133840) is a secondary alcohol (CHEBI:35681)
yanuthone E (CHEBI:133840) is a tertiary alcohol (CHEBI:26878)
Incoming yanuthone D (CHEBI:133841) has functional parent yanuthone E (CHEBI:133840)
yanuthone J (CHEBI:133838) has functional parent yanuthone E (CHEBI:133840)
IUPAC Name
3-hydroxy-5-({(1R,2R,6R)-2-hydroxy-5-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl}methoxy)-3-methyl-5-oxopentanoic acid
Registry Number Type Source
8741889 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11031048 PubMed citation Europe PMC
24684908 PubMed citation Europe PMC
25293978 PubMed citation Europe PMC
26468641 PubMed citation Europe PMC
Last Modified
21 November 2016