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CHEBI:34324 - 3,4-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene

ChEBI IDCHEBI:34324
ChEBI Name3,4-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene
Stars
Last Modified27 January 2016
DownloadsMolfile
FormulaC16H22BrN3O7S
Net Charge0
Average Mass480.337
Monoisotopic Mass479.03618
SMILESN[C@@H](CCC(=O)N[C@@H](CSC1C=CC(Br)=CC1O)C(=O)NCC(=O)O)C(=O)O
InChIInChI=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
InChIKeyWIPMNDWTVDZAHE-JYBOHDQNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
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 bromobenzeneKEGG COMPOUND
Manual XrefsDatabases
C14847KEGG COMPOUND
HMDB0060381HMDB