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CHEBI:147354 - (6R,7S,9S)-2-imino-7,9-dimethyl-1,3-diazaspiro[5.5]undecan-4-one

ChEBI IDCHEBI:147354
ChEBI Name(6R,7S,9S)-2-imino-7,9-dimethyl-1,3-diazaspiro[5.5]undecan-4-one
Stars
ASCII Name(6R,7S,9S)-2-imino-7,9-dimethyl-1,3-diazaspiro[5.5]undecan-4-one
DefinitionAn azaspiro compound resulting from the spiro-fusion of 2-imino-1,3-diazinan-4-one at position 6 with 1,3-dimethylcyclohexane. It is a marine metabolite isolated from Vietnamese pufferfish Tetraodon biocellatus and a potential intermediate in the biosynthetic pathway leading to the synthesis of tetrodotoxin.
Last Modified12 May 2020
Submittertfallon
DownloadsMolfile
FormulaC11H19N3O
Net Charge0
Average Mass209.293
Monoisotopic Mass209.15281
SMILESC[C@H]1CC[C@@]2(CC(=O)NC(=N)N2)[C@@H](C)C1
InChIInChI=1S/C11H19N3O/c1-7-3-4-11(8(2)5-7)6-9(15)13-10(12)14-11/h7-8H,3-6H2,1-2H3,(H3,12,13,14,15)/t7-,8-,11+/m0/s1
InChIKeyGMACXJDVBZZKLK-DKCNOQQISA-N
Species of MetaboliteComponentSourceComments
Tetraodon biocellatus (ncbitaxon:99884) - DOI (10.1002/chem.201801006)
Roles Classification
Biological Roles:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
ChEBI Ontology
Outgoing Relation(s)
(6R,7S,9S)-2-imino-7,9-dimethyl-1,3-diazaspiro[5.5]undecan-4-one (CHEBI:147354) has role animal metabolite (CHEBI:75767)
(6R,7S,9S)-2-imino-7,9-dimethyl-1,3-diazaspiro[5.5]undecan-4-one (CHEBI:147354) has role marine metabolite (CHEBI:76507)
(6R,7S,9S)-2-imino-7,9-dimethyl-1,3-diazaspiro[5.5]undecan-4-one (CHEBI:147354) is a azaspiro compound (CHEBI:35624)
(6R,7S,9S)-2-imino-7,9-dimethyl-1,3-diazaspiro[5.5]undecan-4-one (CHEBI:147354) is a organic heterobicyclic compound (CHEBI:27171)
IUPAC Name 
(6R,7S,9S)-2-imino-7,9-dimethyl-1,3-diazaspiro[5.5]undecan-4-one
Synonym  Source
Tb-210BSUBMITTER
Citations