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

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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
ChEBI ID CHEBI:212440
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H18N6O7S
Net Charge 0
Average Mass 378.360
Monoisotopic Mass 378.09577
InChI InChI=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
InChIKey DYKMREANXMYZCE-SJPJYECCSA-N
SMILES S(=O)(=O)(O[C@@H]1[C@@H](O)[C@]23NC(N)=NC2[C@H](COC(=O)C)N=C(N3C1)N)O
Metabolite of Species Details
Microseira wollei (NCBI:txid467598) See: PubMed
Roles Classification
Biological Role(s): marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
(via [(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 )
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ChEBI Ontology
Outgoing [(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