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CHEBI:58021 - glucotropeolin(1−)
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ChEBI Name
glucotropeolin(1−)
ChEBI ID
CHEBI:58021
ChEBI ASCII Name
glucotropeolin(1-)
Definition
An aralkylglucosinolate that is the conjugate base of glucotropeolin; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C14H18NO9S2
Net Charge
-1
Average Mass
408.427
Monoisotopic Mass
408.04285
InChI
InChI=1S/C14H19NO9S2/c16-
7-
9-
11(17)
12(18)
13(19)
14(23-
9)
25-
10(15-
24-
26(20,21)
22)
6-
8-
4-
2-
1-
3-
5-
8/h1-
5,9,11-
14,16-
19H,6-
7H2,(H,20,21,22)
/p-
1/b15-
10-
/t9-
,11-
,12+,13-
,14+/m1/s1
InChIKey
QQGLQYQXUKHWPX-RFEZBLSLSA-M
SMILES
[C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)S/C(=N\OS([O-])(=O)=O)/CC=2C=CC=CC2
Metabolite of Species
Details
Carica papaya
(NCBI:txid3649)
See:
PubMed
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
glucosinolate
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
glucotropeolin(1−) (
CHEBI:58021
)
is a
(
Z
)-glucosinolate(1−) (
CHEBI:183098
)
glucotropeolin(1−) (
CHEBI:58021
)
is a
aralkylglucosinolate (
CHEBI:36452
)
glucotropeolin(1−) (
CHEBI:58021
)
is conjugate base of
glucotropeolin (
CHEBI:17127
)
Incoming
(
Z
)-phenyl-
N
-(sulfonatooxy)methanimidothioate (
CHEBI:183061
)
has functional parent
glucotropeolin(1−) (
CHEBI:58021
)
glucotropeolin (
CHEBI:17127
)
is conjugate acid of
glucotropeolin(1−) (
CHEBI:58021
)
IUPAC Name
1-
S
-
[(1
Z
)-
2-
phenyl-
N
-
(sulfonatooxy)ethanimidoyl]-
1-
thio-
β-
D
-
glucopyranose
Synonyms
Sources
(
Z
)-glucotropeolin
UniProt
glucotropeolin anion
ChEBI
Registry Numbers
Types
Sources
1671233
Beilstein Registry Number
Beilstein
1671233
Reaxys Registry Number
Reaxys
Last Modified
08 December 2021