CHEBI:178170 - N'-Hydroxyneosaxitoxin

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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'-Hydroxyneosaxitoxin
ChEBI ID CHEBI:178170
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H17N7O6
Net Charge 0
Average Mass 331.289
Monoisotopic Mass 331.12403
InChI InChI=1S/C10H17N7O6/c11-6-13-5-4(3-23-8(18)15-21)17(22)7(12)16-2-1-9(19,20)10(5,16)14-6/h4-5,19-21H,1-3,12H2,(H,15,18)(H3,11,13,14)
InChIKey PTHGRTJYAZWBTI-UHFFFAOYSA-N
SMILES OC1(O)C23N(CC1)C(=[N+]([O-])C(C3N=C(N2)N)COC(=O)NO)N
Metabolite of Species Details
Arisaema erubescens (NCBI:txid228806) Found in bulb (BTO:0000159). See: MetaboLights Study
Roles Classification
Biological Role(s): marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N'-Hydroxyneosaxitoxin (CHEBI:178170) has role marine metabolite (CHEBI:76507)
N'-Hydroxyneosaxitoxin (CHEBI:178170) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name
(2,6-diamino-10,10-dihydroxy-5-oxido-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-5-ium-4-yl)methyl N-hydroxycarbamate