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CHEBI:192357 - acremolin B

ChEBI IDCHEBI:192357
ChEBI Nameacremolin B
Stars
DefinitionAn imidazopurine that is 4,5-dihydro-1H-imidazo[2,1-b]purine substituted by methyl, oxo, methyl, and isopropyl groups at positions 1, 4, 5, and 7, respectively. It is a natural product isolated from the deep-sea-derived fungus Aspergillus sp. SCSIO Ind09F01.
Last Modified7 June 2022
SubmitterAdnan
DownloadsMolfile
FormulaC12H15N5O
Net Charge0
Average Mass245.286
Monoisotopic Mass245.12766
SMILESCC(C)c1cn2c3c(ncn3C)c(=O)n(C)c2n1
InChIInChI=1S/C12H15N5O/c1-7(2)8-5-17-10-9(13-6-15(10)3)11(18)16(4)12(17)14-8/h5-7H,1-4H3
InChIKeyQTBYUXWWYMDZJH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus sp. SCSIO Ind09F01 (ncbitaxon:1654592) - PubMed (25944530)
Roles Classification
Biological Roles:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
acremolin B (CHEBI:192357) has role Aspergillus metabolite (CHEBI:76956)
acremolin B (CHEBI:192357) has role marine metabolite (CHEBI:76507)
acremolin B (CHEBI:192357) is a alkaloid (CHEBI:22315)
acremolin B (CHEBI:192357) is a imidazopurine (CHEBI:39202)
IUPAC Name 
1,5-dimethyl-7-(propan-2-yl)-1H-imidazo[2,1-b]purin-4(5H)-one
Citations