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CHEBI:212446 - [(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl acetate

ChEBI IDCHEBI:212446
ChEBI Name[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18N6O8S
Net Charge0
Average Mass394.366
Monoisotopic Mass394.09068
SMILESCC(=O)OC[C@@H]1N=C(N)N2C[C@H](OS(=O)(=O)O)C(O)(O)[C@@]23NC(N)=N[C@@H]13
InChIInChI=1S/C11H18N6O8S/c1-4(18)24-3-5-7-10(16-8(12)15-7)11(19,20)6(25-26(21,22)23)2-17(10)9(13)14-5/h5-7,19-20H,2-3H2,1H3,(H2,13,14)(H3,12,15,16)(H,21,22,23)/t5-,6-,7-,10-/m0/s1
InChIKeyMVYNBQGQIIORAE-QFNGTQGLSA-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,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl acetate (CHEBI:212446) has role marine metabolite (CHEBI:76507)
[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl acetate (CHEBI:212446) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name 
[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl acetate