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CHEBI:132716 - cadabicine sulfate

ChEBI IDCHEBI:132716
ChEBI Namecadabicine sulfate
Stars
DefinitionA spermidine alkaloid with formula C25H29N3O7S that is biosynthesised by Arabidopsis thaliana.
Last Modified7 March 2018
SubmitterKeeva
DownloadsMolfile
FormulaC25H29N3O7S
Net Charge0
Average Mass515.588
Monoisotopic Mass515.17262
SMILESO=C1/C=C/c2ccc(OS(=O)(=O)O)c(c2)Oc2ccc(cc2)/C=C/C(=O)NCCCNCCCCN1
InChIInChI=1S/C25H29N3O7S/c29-24-12-7-19-4-9-21(10-5-19)34-23-18-20(6-11-22(23)35-36(31,32)33)8-13-25(30)27-16-2-1-14-26-15-3-17-28-24/h4-13,18,26H,1-3,14-17H2,(H,27,30)(H,28,29)(H,31,32,33)/b12-7+,13-8+
InChIKeyHVFBFUUUEIXKJL-INOXDZRUSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702)
root (BTO:0001188) MetaboLights (MTBLS338)
root (BTO:0001188) PubMed (27363486)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
cadabicine sulfate (CHEBI:132716) has functional parent 4-coumaric acid (CHEBI:36090)
cadabicine sulfate (CHEBI:132716) has role plant metabolite (CHEBI:76924)
cadabicine sulfate (CHEBI:132716) is a aromatic ether (CHEBI:35618)
cadabicine sulfate (CHEBI:132716) is a aryl sulfate (CHEBI:37919)
cadabicine sulfate (CHEBI:132716) is a azamacrocycle (CHEBI:52898)
cadabicine sulfate (CHEBI:132716) is a cyclic ether (CHEBI:37407)
cadabicine sulfate (CHEBI:132716) is a enamide (CHEBI:51751)
cadabicine sulfate (CHEBI:132716) is a secondary amino compound (CHEBI:50995)
cadabicine sulfate (CHEBI:132716) is a secondary carboxamide (CHEBI:140325)
cadabicine sulfate (CHEBI:132716) is a spermidine alkaloid (CHEBI:38524)
IUPAC Name 
(8E,22E)-10,21-dioxo-2-oxa-11,16,20-triazatricyclo[22.2.2.13,7]nonacosa-1(26),3(29),4,6,8,22,24,27-octaen-4-yl hydrogen sulfate
Synonyms  Source
didehydro-di(coumaroyl) spermidine sulfateChEBI
cyclic didehydro-di(coumaroyl)spermidine sulfateChEBI
Citations