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

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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
ChEBI ID CHEBI:212458
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C11H18N6O4
Net Charge 0
Average Mass 298.303
Monoisotopic Mass 298.13895
InChI InChI=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
InChIKey FYMGGEYPNDYSSU-HFJPGXAFSA-N
SMILES O=C(OC[C@@H]1N=C(N2CCC([C@@]32[C@H]1N=C(N)N3)(O)O)N)C
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,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl acetate )
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ChEBI Ontology
Outgoing [(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 Xref Database
128444593 ChemSpider
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