EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:34100 - 1-Nitro-5-glutathionyl-6-hydroxy-5,6-dihydronaphthalene

Default Structure
ChEBI IDCHEBI:34100
ChEBI Name1-Nitro-5-glutathionyl-6-hydroxy-5,6-dihydronaphthalene
Stars
Last Modified27 January 2016
DownloadsMolfile
FormulaC20H24N4O9S
Net Charge0
Average Mass496.498
Monoisotopic Mass496.12640
SMILESN[C@@H](CCC(=O)N[C@@H](CSC1c2cccc([N+](=O)[O-])c2C=CC1O)C(=O)NCC(=O)O)C(=O)O
InChIInChI=1S/C20H24N4O9S/c21-12(20(30)31)5-7-16(26)23-13(19(29)22-8-17(27)28)9-34-18-11-2-1-3-14(24(32)33)10(11)4-6-15(18)25/h1-4,6,12-13,15,18,25H,5,7-9,21H2,(H,22,29)(H,23,26)(H,27,28)(H,30,31)/t12-,13-,15?,18?/m0/s1
InChIKeyASZHPHJDCUIIBF-RJXQQRCHSA-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)
1-Nitro-5-glutathionyl-6-hydroxy-5,6-dihydronaphthalene (CHEBI:34100) is a peptide (CHEBI:16670)
Synonym  Source
1-Nitro-5-glutathionyl-6-hydroxy-5,6-dihydronaphthaleneKEGG COMPOUND
Manual XrefsDatabases
C14806KEGG COMPOUND
HMDB0060326HMDB