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CHEBI:222126 - 11-Hydroxydecarbamoylsaxitoxin

ChEBI IDCHEBI:222126
ChEBI Name11-Hydroxydecarbamoylsaxitoxin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H16N6O4
Net Charge0
Average Mass272.265
Monoisotopic Mass272.12330
SMILESNC1=N[C@H]2[C@H](CO)N=C(N)N3CC(O)C(O)(O)[C@]23N1
InChIInChI=1S/C9H16N6O4/c10-6-13-5-3(2-16)12-7(11)15-1-4(17)9(18,19)8(5,15)14-6/h3-5,16-19H,1-2H2,(H2,11,12)(H3,10,13,14)/t3-,4?,5-,8-/m0/s1
InChIKeyVPQKXWCXDNGXQB-LIIKNNTCSA-N
Species of MetaboliteComponentSourceComments
Dolichospermum (ncbitaxon:748770) - 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)
11-Hydroxydecarbamoylsaxitoxin (CHEBI:222126) has role marine metabolite (CHEBI:76507)
11-Hydroxydecarbamoylsaxitoxin (CHEBI:222126) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name 
(3aS,4R,10aS)-2,6-diamino-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purine-9,10,10-triol