CHEBI:222133 - 12beta-Deoxydecarbamoyloxygonyautoxin-3

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ChEBI Name 12beta-Deoxydecarbamoyloxygonyautoxin-3
ChEBI ID CHEBI:222133
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H17N7O7S
Net Charge 0
Average Mass 379.350
Monoisotopic Mass 379.09102
InChI InChI=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
InChIKey BFDNPPUGEPOHCK-VHNKTSJHSA-N
SMILES S(=O)(=O)(O[C@@H]1[C@@H](O)[C@]23NC(N)=N[C@H]2[C@H](COC(=O)N)N=C(N3C1)N)O
Metabolite of Species Details
Anabaena (NCBI:txid1163) See: PubMed
Roles Classification
Biological Role(s): marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
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ChEBI Ontology
Outgoing 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