EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:222133 - 12beta-Deoxydecarbamoyloxygonyautoxin-3

ChEBI IDCHEBI:222133
ChEBI Name12beta-Deoxydecarbamoyloxygonyautoxin-3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H17N7O7S
Net Charge0
Average Mass379.355
Monoisotopic Mass379.09102
SMILESNC(=O)OC[C@@H]1N=C(N)N2C[C@H](OS(=O)(=O)O)[C@@H](O)[C@@]23NC(N)=N[C@@H]13
InChIInChI=1S/C10H17N7O7S/c11-7-15-5-3(2-23-9(13)19)14-8(12)17-1-4(24-25(20,21)22)6(18)10(5,17)16-7/h3-6,18H,1-2H2,(H2,12,14)(H2,13,19)(H3,11,15,16)(H,20,21,22)/t3-,4-,5-,6+,10-/m0/s1
InChIKeyBFDNPPUGEPOHCK-VHNKTSJHSA-N
Species of MetaboliteComponentSourceComments
Anabaena (ncbitaxon:1163) - PubMed (31527551)
Roles Classification
Biological Role:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
12beta-Deoxydecarbamoyloxygonyautoxin-3 (CHEBI:222133) has role marine metabolite (CHEBI:76507)
12beta-Deoxydecarbamoyloxygonyautoxin-3 (CHEBI:222133) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name 
[(3aS,4R,9S,10S,10aS)-2,6-diamino-10-hydroxy-9-sulooxy-1,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-4-yl]methyl carbamate