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CHEBI:212458 - [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl acetate

ChEBI IDCHEBI:212458
ChEBI Name[(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18N6O4
Net Charge0
Average Mass298.303
Monoisotopic Mass298.13895
SMILESCC(=O)OC[C@@H]1N=C(N)N2CCC(O)(O)[C@@]23NC(N)=N[C@@H]13
InChIInChI=1S/C11H18N6O4/c1-5(18)21-4-6-7-11(16-8(12)15-7)10(19,20)2-3-17(11)9(13)14-6/h6-7,19-20H,2-4H2,1H3,(H2,13,14)(H3,12,15,16)/t6-,7-,11-/m0/s1
InChIKeyFYMGGEYPNDYSSU-HFJPGXAFSA-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,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl acetate (CHEBI:212458) has role marine metabolite (CHEBI:76507)
[(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl acetate (CHEBI:212458) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name 
[(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl acetate
Manual XrefsDatabases
128444593ChemSpider