CHEBI:132716 - cadabicine sulfate

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ChEBI Name cadabicine sulfate
ChEBI ID CHEBI:132716
Definition A spermidine alkaloid with formula C25H29N3O7S that is biosynthesised by Arabidopsis thaliana.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H29N3O7S
Net Charge 0
Average Mass 515.581
Monoisotopic Mass 515.17262
InChI InChI=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+
InChIKey HVFBFUUUEIXKJL-INOXDZRUSA-N
SMILES N1CCCNCCCCNC(C=CC=2C=C(C(=CC2)OS(O)(=O)=O)OC=3C=CC(=CC3)C=CC1=O)=O
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) Found in root (BTO:0001188). See: PubMed
Arabidopsis thaliana (NCBI:txid3702) Found in root (BTO:0001188). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
cyclic didehydro-di(coumaroyl)spermidine sulfate ChEBI
didehydro-di(coumaroyl) spermidine sulfate ChEBI
Citation Waiting for Citations Type Source
27363486 PubMed citation Europe PMC
Last Modified
07 March 2018