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> Main
CHEBI:34324 - 3,4-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene
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ChEBI Name
3,4-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene
ChEBI ID
CHEBI:34324
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C16H22BrN3O7S
Net Charge
0
Average Mass
480.332
Monoisotopic Mass
479.03618
InChI
InChI=1S/C16H22BrN3O7S/c17-
8-
1-
3-
12(11(21)
5-
8)
28-
7-
10(15(25)
19-
6-
14(23)
24)
20-
13(22)
4-
2-
9(18)
16(26)
27/h1,3,5,9-
12,21H,2,4,6-
7,18H2,(H,19,25)
(H,20,22)
(H,23,24)
(H,26,27)
/t9-
,10-
,11?,12?/m0/s1
InChIKey
WIPMNDWTVDZAHE-JYBOHDQNSA-N
SMILES
N[C@@H](CCC(=O)N[C@@H](CSC1C=CC(Br)=CC1O)C(=O)NCC(O)=O)C(O)=O
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
Source: BioModels - MODEL1507180067 See:
PubMed
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
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3,4-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene (
CHEBI:34324
)
is a
peptide (
CHEBI:16670
)
Synonym
Source
3,4-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene
KEGG COMPOUND
Manual Xrefs
Databases
C14847
KEGG COMPOUND
HMDB0060381
HMDB
View more database links
Last Modified
27 January 2016