CHEBI:231533 - S-(2,4-dinitro-6-hydroxylaminotoluyl)glutathione (1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name S-(2,4-dinitro-6-hydroxylaminotoluyl)glutathione (1−)
ChEBI ID CHEBI:231533
ChEBI ASCII Name S-(2,4-dinitro-6-hydroxylaminotoluyl)glutathione (1-)
Stars This entity has been manually annotated by a third party.
Submitter Elisabeth COUDERT
Supplier Information
Download Molfile XML SDF
Formula C17H21N6O11S
Net Charge -1
Average Mass 517.450
Monoisotopic Mass 517.09945
InChI InChI=1S/C17H22N6O11S/c18-10(17(28)29)1-2-14(24)20-12(16(27)19-5-15(25)26)7-35-6-9-11(21-30)3-8(22(31)32)4-13(9)23(33)34/h3-4,10,12,21,30H,1-2,5-7,18H2,(H,19,27)(H,20,24)(H,25,26)(H,28,29)/p-1/t10-,12-/m0/s1
InChIKey LEOHWHVQWZWNQO-JQWIXIFHSA-M
SMILES C1(CSC[C@H](NC(CC[C@@H](C([O-])=O)[NH3+])=O)C(NCC([O-])=O)=O)=C(NO)C=C(C=C1[N+]([O-])=O)[N+]([O-])=O
ChEBI Ontology
Outgoing S-(2,4-dinitro-6-hydroxylaminotoluyl)glutathione (1−) (CHEBI:231533) is a C-nitro compound (CHEBI:35716)
S-(2,4-dinitro-6-hydroxylaminotoluyl)glutathione (1−) (CHEBI:231533) is a S-substituted glutathione (CHEBI:17021)
Synonym Source
S-(2,4-dinitro-6-hydroxylaminotoluyl)glutathione UniProt
Citation Waiting for Citations Type Source
24733884 PubMed citation SUBMITTER