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ChEBI
> Main
CHEBI:79351 -
epi
-progoitrin
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ChEBI Name
epi
-progoitrin
ChEBI ID
CHEBI:79351
ChEBI ASCII Name
epi-progoitrin
Definition
The stereoisomer of ξ-progoitrin that has
S
at the carbon bearing the allylic hydroxy group.
Stars
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-AUYZFIFFSA-N
SMILES
[C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)SC(=NOS(O)(=O)=O)C[C@@H](C=C)O
Metabolite of Species
Details
Isatis indigotica
(NCBI:txid161756)
Found in root
(BTO:0001188)
. See:
PubMed
Crambe abyssinica
(NCBI:txid3721)
Found in seed
(BTO:0001226)
. See:
DOI
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
epi
-progoitrin (
CHEBI:79351
)
has role
plant metabolite (
CHEBI:76924
)
epi
-progoitrin (
CHEBI:79351
)
is a
ξ-progoitrin (
CHEBI:79350
)
epi
-progoitrin (
CHEBI:79351
)
is conjugate acid of
epi
-progoitrin(1−) (
CHEBI:47797
)
Incoming
epi
-progoitrin(1−) (
CHEBI:47797
)
is conjugate base of
epi
-progoitrin (
CHEBI:79351
)
IUPAC Name
1-
S
-
[(3
S
)-
3-
hydroxy-
N
-
(sulfooxy)pent-
4-
enimidoyl]-
1-
thio-
β-
D
-
glucopyranose
Synonyms
Sources
(2
S
)-2-hydroxy-3-butenyl glucosinolate
ChEBI
(
S
)-2-hydroxy-but-3-enyl-glucosinolate
MetaCyc
Registry Numbers
Types
Sources
19237-18-4
CAS Registry Number
ChemIDplus
9951982
Reaxys Registry Number
Reaxys
Citations
Types
Sources
12696966
PubMed citation
Europe PMC
16536577
PubMed citation
Europe PMC
9034587
PubMed citation
Europe PMC
IND20419779
Agricola citation
Europe PMC
IND43625599
Agricola citation
Europe PMC
Last Modified
12 June 2019