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CHEBI:45899 - S-(2,3,6-TRINITROPHENYL)CYSTEINE

Default Structure
ChEBI IDCHEBI:45899
ChEBI NameS-(2,3,6-TRINITROPHENYL)CYSTEINE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC9H8N4O8S
Net Charge0
Average Mass332.250
Monoisotopic Mass332.00628
SMILES[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])Sc1c([N+](=O)[O-])c([H])c([N+](=O)[O-])c([H])c1[N+](=O)[O-]
InChIInChI=1S/C9H8N4O8S/c10-5(9(14)15)3-22-8-6(12(18)19)1-4(11(16)17)2-7(8)13(20)21/h1-2,5H,3,10H2,(H,14,15)/t5-/m0/s1
InChIKeyHZVLUUGPGJKXHN-YFKPBYRVSA-N
ChEBI Ontology
Outgoing Relation(s)
S-(2,3,6-TRINITROPHENYL)CYSTEINE (CHEBI:45899) is a unclassifieds (CHEBI:27189)
Synonyms  Source
S-(2,3,6-TRINITROPHENYL)CYSTEINEPDBeChem
S-(2,4,6-trinitrophenyl)-L-cysteinePDBeChem
Manual XrefsDatabases
TNBPDBeChem