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CHEBI:212428 - Decarbamoylgonyautoxin-2

ChEBI IDCHEBI:212428
ChEBI NameDecarbamoylgonyautoxin-2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H16N6O7S
Net Charge0
Average Mass352.329
Monoisotopic Mass352.08012
SMILESNC1=N[C@H]2[C@H](CO)N=C(N)N3C[C@@H](OS(=O)(=O)O)C(O)(O)[C@]23N1
InChIInChI=1S/C9H16N6O7S/c10-6-13-5-3(2-16)12-7(11)15-1-4(22-23(19,20)21)9(17,18)8(5,15)14-6/h3-5,16-18H,1-2H2,(H2,11,12)(H3,10,13,14)(H,19,20,21)/t3-,4+,5-,8-/m0/s1
InChIKeyAJLCXXKDNUGKKH-WVBYAZCYSA-N
Species of MetaboliteComponentSourceComments
Microseira wollei (ncbitaxon:467598) - PubMed (9407557)
Roles Classification
Biological Role:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
Decarbamoylgonyautoxin-2 (CHEBI:212428) has role marine metabolite (CHEBI:76507)
Decarbamoylgonyautoxin-2 (CHEBI:212428) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name 
[(3aS,4R,9R,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] hydrogen sulate
Manual XrefsDatabases
111313751ChemSpider