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CHEBI:214672 - Decarbamoylgonyautoxin-4

ChEBI IDCHEBI:214672
ChEBI NameDecarbamoylgonyautoxin-4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H16N6O8S
Net Charge0
Average Mass368.328
Monoisotopic Mass368.07503
SMILESN=C1N(O)[C@@H](CO)[C@@H]2N=C(N)N[C@]23N1C[C@H](OS(=O)(=O)O)C3(O)O
InChIInChI=1S/C9H16N6O8S/c10-6-12-5-3(2-16)15(19)7(11)14-1-4(23-24(20,21)22)9(17,18)8(5,14)13-6/h3-5,11,16-19H,1-2H2,(H3,10,12,13)(H,20,21,22)/t3-,4-,5-,8-/m0/s1
InChIKeyAXKNFGCPJPRVCA-RGDLXGNYSA-N
Species of MetaboliteComponentSourceComments
Heteroscytonema crispum (ncbitaxon:439476) - 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)
Decarbamoylgonyautoxin-4 (CHEBI:214672) has role marine metabolite (CHEBI:76507)
Decarbamoylgonyautoxin-4 (CHEBI:214672) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name 
[(3aS,4R,9S,10aS)-2-amino-5,10,10-trihydroxy-4-(hydroxymethyl)-6-imino-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] hydrogen sulate
Manual XrefsDatabases
58820515ChemSpider