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> Main
CHEBI:132716 - cadabicine sulfate
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ChEBI Ontology
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ChEBI Name
cadabicine sulfate
ChEBI ID
CHEBI:132716
Definition
A spermidine alkaloid with formula C
25
H
29
N
3
O
7
S that is biosynthesised by
Arabidopsis thaliana
.
Stars
This entity has been manually annotated by the ChEBI Team.
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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 (Br
o
nsted 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
(8
E
,22
E
)-
10,21-
dioxo-
2-
oxa-
11,16,20-
triazatricyclo[22.2.2.1
3,7
]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
Type
Source
27363486
PubMed citation
Europe PMC
Last Modified
07 March 2018