CHEBI:212449 - [(3aS,4R,9R,10aS)-2,6-diamino-10,10-dihydroxy-9-sulooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl acetate

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ChEBI Name [(3aS,4R,9R,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 ID CHEBI:212449
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H18N6O8S
Net Charge 0
Average Mass 394.360
Monoisotopic Mass 394.09068
InChI InChI=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
InChIKey MVYNBQGQIIORAE-XIVUIJJLSA-N
SMILES S(=O)(=O)(O[C@H]1C(O)(O)[C@]23NC(N)=N[C@H]2[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 [(3aS,4R,9R,10aS)-2,6-diamino-10,10-dihydroxy-9-sulooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl acetate )
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ChEBI Ontology
Outgoing [(3aS,4R,9R,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:212449) has role marine metabolite (CHEBI:76507)
[(3aS,4R,9R,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:212449) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name
[(3aS,4R,9R,10aS)-2,6-diamino-10,10-dihydroxy-9-sulooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl acetate