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CHEBI:43071 - 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE

Default Structure
ChEBI IDCHEBI:43071
ChEBI Name1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC16H20N6O12S
Net Charge0
Average Mass520.433
Monoisotopic Mass520.08599
SMILES[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])N([H])[H])C([H])([H])S[C@]1([H])C([N+](=O)[O-])=C([H])[C@@]([H])([N+](=O)[O-])C([H])=C1[N+](=O)[O-]
InChIInChI=1S/C16H20N6O12S/c17-8(16(27)28)1-2-12(23)19-9(15(26)18-5-13(24)25)6-35-14-10(21(31)32)3-7(20(29)30)4-11(14)22(33)34/h3-4,7-9,14H,1-2,5-6,17H2,(H,18,26)(H,19,23)(H,24,25)(H,27,28)/t7-,8-,9-,14-/m0/s1
InChIKeyVQUXYLXGOSJDJJ-FMCOEWMSSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE (CHEBI:43071) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENEPDBeChem
L-gamma-glutamyl-S-(cis-2,4,6-trinitrocyclohexa-2,5-dien-1-yl)-L-cysteinylglycinePDBeChem
Manual XrefsDatabases
GTDPDBeChem