EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:214708 - 12beta-Deoxy-deoxysaxitoxin

ChEBI IDCHEBI:214708
ChEBI Name12beta-Deoxy-deoxysaxitoxin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H16N6O
Net Charge0
Average Mass224.268
Monoisotopic Mass224.13856
SMILESC[C@@H]1N=C(N)N2CC[C@@H](O)[C@@]23NC(N)=N[C@@H]13
InChIInChI=1S/C9H16N6O/c1-4-6-9(14-7(10)13-6)5(16)2-3-15(9)8(11)12-4/h4-6,16H,2-3H2,1H3,(H2,11,12)(H3,10,13,14)/t4-,5+,6-,9+/m0/s1
InChIKeyQREWPEMPVQOBAA-SOVPELCUSA-N
Roles Classification
Biological Role:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
12beta-Deoxy-deoxysaxitoxin (CHEBI:214708) has role marine metabolite (CHEBI:76507)
12beta-Deoxy-deoxysaxitoxin (CHEBI:214708) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name 
(3aS,4S,10R,10aS)-2,6-diamino-4-methyl-1,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-10-ol