CHEBI:214691 - N-sulfocarbamoylgonyautoxin-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 N-sulfocarbamoylgonyautoxin-3
ChEBI ID CHEBI:214691
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H17N7O12S2
Net Charge 0
Average Mass 491.400
Monoisotopic Mass 491.03766
InChI InChI=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
InChIKey HUDHMIUZDXZZRC-XXKOCQOQSA-N
SMILES S(=O)(=O)(O[C@H]1C(O)(O)[C@]23NC(N)=N[C@H]2[C@H](COC(=O)NS(=O)(=O)O)N(C(N3C1)=N)O)O
Metabolite of Species Details
Heteroscytonema crispum (NCBI:txid439476) 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 N-sulfocarbamoylgonyautoxin-3 (CHEBI:214691) has role marine metabolite (CHEBI:76507)
N-sulfocarbamoylgonyautoxin-3 (CHEBI:214691) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name
[(3aS,4R,9R,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 Xref Database
10284949 ChemSpider
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