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
Download Molfile XML SDF
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 (Bronsted 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