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ChEBI
> Main
CHEBI:85300 -
N
1
,
N
8
-bis(sinapoyl)-spermidine
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ChEBI Ontology
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ChEBI Name
N
1
,
N
8
-bis(sinapoyl)-spermidine
ChEBI ID
CHEBI:85300
ChEBI ASCII Name
N(1),N(8)-bis(sinapoyl)-spermidine
Definition
A secondary amino compound that is spermidine in which each of the primary amino groups has been mono-acylated by formal condensation with
trans
-sinapic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C29H39N3O8
Net Charge
0
Average Mass
557.63530
Monoisotopic Mass
557.27372
InChI
InChI=1S/C29H39N3O8/c1-
37-
22-
16-
20(17-
23(38-
2)
28(22)
35)
8-
10-
26(33)
31-
14-
6-
5-
12-
30-
13-
7-
15-
32-
27(34)
11-
9-
21-
18-
24(39-
3)
29(36)
25(19-
21)
40-
4/h8-
11,16-
19,30,35-
36H,5-
7,12-
15H2,1-
4H3,(H,31,33)
(H,32,34)
/b10-
8+,11-
9+
InChIKey
PMOOGLRNGWRADJ-GFULKKFKSA-N
SMILES
COc1cc(\C=C\C(=O)NCCCCNCCCNC(=O)\C=C\c2cc(OC)c(O)c(OC)c2)cc(OC)c1O
Metabolite of Species
Details
Arabidopsis
(NCBI:txid3701)
Found in seed
(BTO:0001226)
. See:
PubMed
Hippeastrum
(NCBI:txid4695)
Found in pollen
(BTO:0001097)
. See:
DOI
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
N
1
,
N
8
-bis(sinapoyl)-spermidine (
CHEBI:85300
)
has functional parent
trans
-sinapic acid (
CHEBI:15714
)
N
1
,
N
8
-bis(sinapoyl)-spermidine (
CHEBI:85300
)
has functional parent
spermidine (
CHEBI:16610
)
N
1
,
N
8
-bis(sinapoyl)-spermidine (
CHEBI:85300
)
has role
plant metabolite (
CHEBI:76924
)
N
1
,
N
8
-bis(sinapoyl)-spermidine (
CHEBI:85300
)
is a
aromatic ether (
CHEBI:35618
)
N
1
,
N
8
-bis(sinapoyl)-spermidine (
CHEBI:85300
)
is a
enamide (
CHEBI:51751
)
N
1
,
N
8
-bis(sinapoyl)-spermidine (
CHEBI:85300
)
is a
polyphenol (
CHEBI:26195
)
N
1
,
N
8
-bis(sinapoyl)-spermidine (
CHEBI:85300
)
is a
secondary amino compound (
CHEBI:50995
)
N
1
,
N
8
-bis(sinapoyl)-spermidine (
CHEBI:85300
)
is a
secondary carboxamide (
CHEBI:140325
)
N
1
,
N
8
-bis(sinapoyl)-spermidine (
CHEBI:85300
)
is conjugate base of
N
1
,
N
8
-bis(sinapoyl)-spermidine(1+) (
CHEBI:85006
)
Incoming
N
1
,
N
8
-bis(sinapoyl)-spermidine(1+) (
CHEBI:85006
)
is conjugate acid of
N
1
,
N
8
-bis(sinapoyl)-spermidine (
CHEBI:85300
)
Registry Number
Type
Source
8095708
Reaxys Registry Number
Reaxys
Citation
Type
Source
19168716
PubMed citation
Europe PMC
Last Modified
07 March 2018