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CHEBI:208813 - Adeninylpyrenocine

ChEBI IDCHEBI:208813
ChEBI NameAdeninylpyrenocine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H17N5O4
Net Charge0
Average Mass343.343
Monoisotopic Mass343.12805
SMILESCOc1cc(=O)oc(C)c1C(=O)C[C@H](C)n1cnc2c(N)ncnc21
InChIInChI=1S/C16H17N5O4/c1-8(21-7-20-14-15(17)18-6-19-16(14)21)4-10(22)13-9(2)25-12(23)5-11(13)24-3/h5-8H,4H2,1-3H3,(H2,17,18,19)/t8-/m0/s1
InChIKeyQOMKTVZWKWETOX-QMMMGPOBSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31470583)
ChEBI Ontology
Outgoing Relation(s)
Adeninylpyrenocine (CHEBI:208813) is a 6-aminopurines (CHEBI:20706)
IUPAC Name 
5-[(3S)-3-(6-aminopurin-9-yl)butanoyl]-4-methoxy-6-methylpyran-2-one
Manual XrefsDatabases
81131472ChemSpider