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CHEBI:212440 - [(4R,9S,10S,10aS)-2,6-diamino-10-hydroxy-9-sulooxy-1,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-4-yl]methyl acetate

ChEBI IDCHEBI:212440
ChEBI Name[(4R,9S,10S,10aS)-2,6-diamino-10-hydroxy-9-sulooxy-1,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-4-yl]methyl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18N6O7S
Net Charge0
Average Mass378.367
Monoisotopic Mass378.09577
SMILESCC(=O)OC[C@@H]1N=C(N)N2C[C@H](OS(=O)(=O)O)[C@@H](O)[C@@]23NC(N)=NC13
InChIInChI=1S/C11H18N6O7S/c1-4(18)23-3-5-7-11(16-9(12)15-7)8(19)6(24-25(20,21)22)2-17(11)10(13)14-5/h5-8,19H,2-3H2,1H3,(H2,13,14)(H3,12,15,16)(H,20,21,22)/t5-,6-,7?,8+,11-/m0/s1
InChIKeyDYKMREANXMYZCE-SJPJYECCSA-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)
[(4R,9S,10S,10aS)-2,6-diamino-10-hydroxy-9-sulooxy-1,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-4-yl]methyl acetate (CHEBI:212440) has role marine metabolite (CHEBI:76507)
[(4R,9S,10S,10aS)-2,6-diamino-10-hydroxy-9-sulooxy-1,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-4-yl]methyl acetate (CHEBI:212440) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name 
[(4R,9S,10S,10aS)-2,6-diamino-10-hydroxy-9-sulooxy-1,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-4-yl]methyl acetate