[(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)

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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

ChEBI ID	CHEBI:181363

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H17N7O5

Net Charge

Average Mass

315.290

Monoisotopic Mass

315.12912

InChI

InChI=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

InChIKey

BBWULCNJOJRQBM-HGRQIUPRSA-N

SMILES

OC1(O)[C@]23N(CC1)C(=[N+]([O-])[C@H]([C@@]3(N=C(N2)N)[H])COC(=O)N)N

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-5-oxido-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-5-ium-4-yl]methyl carbamate )

ChEBI Ontology
Outgoing	[(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