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> Main
CHEBI:79350 - ξ-progoitrin
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ChEBI Name
ξ-progoitrin
ChEBI ID
CHEBI:79350
ChEBI ASCII Name
xi-progoitrin
Definition
A hydroxy-alkenylglucosinolic acid in which a 3-hydroxybut-1-en-4-yl group is attached to the carbon of the oxime sulfate moiety.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C11H19NO10S2
Net Charge
0
Average Mass
389.390
Monoisotopic Mass
389.04504
InChI
InChI=1S/C11H19NO10S2/c1-
2-
5(14)
3-
7(12-
22-
24(18,19)
20)
23-
11-
10(17)
9(16)
8(15)
6(4-
13)
21-
11/h2,5-
6,8-
11,13-
17H,1,3-
4H2,(H,18,19,20)
/t5?,6-
,8-
,9+,10-
,11+/m1/s1
InChIKey
MYHSVHWQEVDFQT-RNFCHCRPSA-N
SMILES
[C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)SC(=NOS(O)(=O)=O)CC(C=C)O
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.
(via
glucosinolic acid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
ξ-progoitrin (
CHEBI:79350
)
has functional parent
gluconapin (
CHEBI:79319
)
ξ-progoitrin (
CHEBI:79350
)
is a
hydroxy-alkenylglucosinolic acid (
CHEBI:79348
)
ξ-progoitrin (
CHEBI:79350
)
is a
secondary alcohol (
CHEBI:35681
)
ξ-progoitrin (
CHEBI:79350
)
is conjugate acid of
ξ-progoitrin(1−) (
CHEBI:47798
)
Incoming
epi
-progoitrin (
CHEBI:79351
)
is a
ξ-progoitrin (
CHEBI:79350
)
progoitrin (
CHEBI:79352
)
is a
ξ-progoitrin (
CHEBI:79350
)
ξ-progoitrin(1−) (
CHEBI:47798
)
is conjugate base of
ξ-progoitrin (
CHEBI:79350
)
IUPAC Name
1-
S
-
[3-
hydroxy-
N
-
(sulfooxy)pent-
4-
enimidoyl]-
1-
thio-
β-
D
-
glucopyranose
Last Modified
12 June 2019