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CHEBI:212463 - [(3aS,4R,10R,10aS)-2,6-diamino-10-hydroxy-1,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-4-yl]methyl acetate

ChEBI IDCHEBI:212463
ChEBI Name[(3aS,4R,10R,10aS)-2,6-diamino-10-hydroxy-1,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-4-yl]methyl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18N6O3
Net Charge0
Average Mass282.304
Monoisotopic Mass282.14404
SMILESCC(=O)OC[C@@H]1N=C(N)N2CC[C@@H](O)[C@@]23NC(N)=N[C@@H]13
InChIInChI=1S/C11H18N6O3/c1-5(18)20-4-6-8-11(16-9(12)15-8)7(19)2-3-17(11)10(13)14-6/h6-8,19H,2-4H2,1H3,(H2,13,14)(H3,12,15,16)/t6-,7+,8-,11+/m0/s1
InChIKeyKCWXJSKCJDCDBC-MCHASIABSA-N
Species of MetaboliteComponentSourceComments
Microseira wollei (ncbitaxon:467598) - PubMed (9407557)
Roles Classification
Biological Role:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
[(3aS,4R,10R,10aS)-2,6-diamino-10-hydroxy-1,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-4-yl]methyl acetate (CHEBI:212463) has role marine metabolite (CHEBI:76507)
[(3aS,4R,10R,10aS)-2,6-diamino-10-hydroxy-1,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-4-yl]methyl acetate (CHEBI:212463) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name 
[(3aS,4R,10R,10aS)-2,6-diamino-10-hydroxy-1,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-4-yl]methyl acetate