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CHEBI:181363 - [(3As,4R,10aS)-2,6-diamino-10,10-dihydroxy-5-oxido-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-5-ium-4-yl]methyl carbamate

Default Structure
ChEBI IDCHEBI:181363
ChEBI Name[(3As,4R,10aS)-2,6-diamino-10,10-dihydroxy-5-oxido-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-5-ium-4-yl]methyl carbamate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H17N7O5
Net Charge0
Average Mass315.290
Monoisotopic Mass315.12912
SMILES[H][C@@]12N=C(N)N[C@]13N(CCC3(O)O)C(N)=[N+]([O-])[C@H]2COC(N)=O
InChIInChI=1S/C10H17N7O5/c11-6-14-5-4(3-22-8(13)18)17(21)7(12)16-2-1-9(19,20)10(5,16)15-6/h4-5,19-20H,1-3,12H2,(H2,13,18)(H3,11,14,15)/t4-,5-,10-/m0/s1
InChIKeyBBWULCNJOJRQBM-HGRQIUPRSA-N
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,10aS)-2,6-diamino-10,10-dihydroxy-5-oxido-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-5-ium-4-yl]methyl carbamate (CHEBI:181363) has role marine metabolite (CHEBI:76507)
[(3As,4R,10aS)-2,6-diamino-10,10-dihydroxy-5-oxido-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-5-ium-4-yl]methyl carbamate (CHEBI:181363) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name 
[(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-5-oxido-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-5-ium-4-yl]methyl carbamate
Manual XrefsDatabases
78431225ChemSpider
C17208KEGG COMPOUND