CHEBI:133837 - yanuthone I

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name yanuthone I
ChEBI ID CHEBI:133837
Definition A class I yanuthone that is 5,6-epoxy-4-hydroxy-3-hydroxymethylcyclohex-2-en-1-one which is substituted at position 6 by a (2E)-7-carboxy-3-methyloct-2-en-1-yl group (the R,R,R stereoisomer).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Julian Brandl
Supplier Information
Download Molfile XML SDF
Formula C17H24O6
Net Charge 0
Average Mass 324.370
Monoisotopic Mass 324.15729
InChI InChI=1S/C17H24O6/c1-10(4-3-5-11(2)16(21)22)6-7-17-13(19)8-12(9-18)14(20)15(17)23-17/h6,8,11,14-15,18,20H,3-5,7,9H2,1-2H3,(H,21,22)/b10-6+/t11?,14-,15-,17+/m1/s1
InChIKey AKKLRAIOYFECEG-BQPVOTJVSA-N
SMILES CC(CCC\C(\C)=C\C[C@]12C(C=C([C@H]([C@H]1O2)O)CO)=O)C(O)=O
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 I (CHEBI:133837) has role Aspergillus metabolite (CHEBI:76956)
yanuthone I (CHEBI:133837) is a class I yanuthone (CHEBI:133075)
yanuthone I (CHEBI:133837) is a monocarboxylic acid (CHEBI:25384)
yanuthone I (CHEBI:133837) is a primary alcohol (CHEBI:15734)
yanuthone I (CHEBI:133837) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(6E)-8-[(1R,5R,6R)-5-hydroxy-4-(hydroxymethyl)-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2,6-dimethyloct-6-enoic acid
Registry Number Type Source
27020144 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
24684908 PubMed citation Europe PMC
25293978 PubMed citation Europe PMC
Last Modified
21 November 2016