EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:214686 - Gonyautoxin-6

ChEBI IDCHEBI:214686
ChEBI NameGonyautoxin-6
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H17N7O8S
Net Charge0
Average Mass395.354
Monoisotopic Mass395.08593
SMILESN=C1N(O)[C@@H](COC(=O)NS(=O)(=O)O)[C@@H]2N=C(N)N[C@]23N1CCC3(O)O
InChIInChI=1S/C10H17N7O8S/c11-6-13-5-4(3-25-8(18)15-26(22,23)24)17(21)7(12)16-2-1-9(19,20)10(5,16)14-6/h4-5,12,19-21H,1-3H2,(H,15,18)(H3,11,13,14)(H,22,23,24)/t4-,5-,10-/m0/s1
InChIKeyALRRPAKWGUBPBK-HGRQIUPRSA-N
Species of MetaboliteComponentSourceComments
Cylindrospermopsis raciborskii (ncbitaxon:77022) - PubMed (30471380)
Roles Classification
Biological Role:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
Gonyautoxin-6 (CHEBI:214686) has role marine metabolite (CHEBI:76507)
Gonyautoxin-6 (CHEBI:214686) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name 
[(3aS,4R,10aS)-2-amino-5,10,10-trihydroxy-6-imino-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methoxycarbonylsulamic acid
Manual XrefsDatabases
30790889ChemSpider