CHEBI:212434 - Decarbamoylgonyautoxin-3

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Decarbamoylgonyautoxin-3
ChEBI ID CHEBI:212434
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H16N6O7S
Net Charge 0
Average Mass 352.320
Monoisotopic Mass 352.08012
InChI InChI=1S/C9H16N6O7S/c10-6-13-5-3(2-16)12-7(11)15-1-4(22-23(19,20)21)9(17,18)8(5,15)14-6/h3-5,16-18H,1-2H2,(H2,11,12)(H3,10,13,14)(H,19,20,21)/t3-,4-,5-,8-/m0/s1
InChIKey AJLCXXKDNUGKKH-RGDLXGNYSA-N
SMILES S(=O)(=O)(O[C@@H]1C(O)(O)[C@]23NC(N)=N[C@H]2[C@H](CO)N=C(N3C1)N)O
Metabolite of Species Details
Microseira wollei (NCBI:txid467598) 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 Decarbamoylgonyautoxin-3 (CHEBI:212434) has role marine metabolite (CHEBI:76507)
Decarbamoylgonyautoxin-3 (CHEBI:212434) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name
[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] hydrogen sulate
Manual Xref Database
95600552 ChemSpider
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