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CHEBI:214696 - N-sulfocarbamoylgonyautoxin-4

ChEBI IDCHEBI:214696
ChEBI NameN-sulfocarbamoylgonyautoxin-4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H17N7O12S2
Net Charge0
Average Mass491.417
Monoisotopic Mass491.03766
SMILESN=C1N(O)[C@@H](COC(=O)NS(=O)(=O)O)[C@@H]2N=C(N)N[C@]23N1C[C@H](OS(=O)(=O)O)C3(O)O
InChIInChI=1S/C10H17N7O12S2/c11-6-13-5-3(2-28-8(18)15-30(22,23)24)17(21)7(12)16-1-4(29-31(25,26)27)10(19,20)9(5,16)14-6/h3-5,12,19-21H,1-2H2,(H,15,18)(H3,11,13,14)(H,22,23,24)(H,25,26,27)/t3-,4-,5-,9-/m0/s1
InChIKeyHUDHMIUZDXZZRC-LJRZAWCWSA-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)
N-sulfocarbamoylgonyautoxin-4 (CHEBI:214696) has role marine metabolite (CHEBI:76507)
N-sulfocarbamoylgonyautoxin-4 (CHEBI:214696) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name 
[(3aS,4R,9S,10aS)-2-amino-5,10,10-trihydroxy-6-imino-9-sulooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methoxycarbonylsulamic acid
Manual XrefsDatabases
10397256ChemSpider