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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:82807 - agrocinopine C
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ChEBI Ontology
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ChEBI Name
agrocinopine C
ChEBI ID
CHEBI:82807
Definition
A member of the class of agrocinopines that consists of sucrose and
D
-glucose units joined via a phosphodiester linkage between position 4
F
of sucrose and position 2 of glucose.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C18H33O19P
Net Charge
0
Average Mass
584.41700
Monoisotopic Mass
584.13537
InChI
InChI=1S/C18H33O19P/c19-
1-
5-
8(23)
11(26)
13(16(29)
32-
5)
36-
38(30,31)
37-
14-
12(27)
9(24)
6(2-
20)
33-
17(14)
35-
18(4-
22)
15(28)
10(25)
7(3-
21)
34-
18/h5-
17,19-
29H,1-
4H2,(H,30,31)
/t5-
,6-
,7-
,8-
,9-
,10-
,11+,12+,13-
,14-
,15+,16?,17-
,18+/m1/s1
InChIKey
SLYGSIQCXXPYCD-JGWQWBLKSA-N
SMILES
OC[C@H]
1O[C@@]
(CO)
(O[C@H]
2O[C@H]
(CO)
[C@@H]
(O)
[C@H]
(O)
[C@H]
2OP(O)
(=O)
O[C@H]
2C(O)
O[C@H]
(CO)
[C@@H]
(O)
[C@@H]
2O)
[C@@H]
(O)
[C@@H]
1O
Roles Classification
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.
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
(via
opine
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
agrocinopine C (
CHEBI:82807
)
has functional parent
D
-glucopyranose (
CHEBI:4167
)
agrocinopine C (
CHEBI:82807
)
has functional parent
sucrose (
CHEBI:17992
)
agrocinopine C (
CHEBI:82807
)
has role
plant metabolite (
CHEBI:76924
)
agrocinopine C (
CHEBI:82807
)
is a
agrocinopine (
CHEBI:82802
)
Citation
Type
Source
11555296
PubMed citation
Europe PMC
Last Modified
28 August 2014