EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:7426 - NAc-DNP-Cys

ChEBI IDCHEBI:7426
ChEBI NameNAc-DNP-Cys
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC11H11N3O7S
Net Charge0
Average Mass329.290
Monoisotopic Mass329.03177
SMILESCC(=O)N[C@@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C11H11N3O7S/c1-6(15)12-8(11(16)17)5-22-10-3-2-7(13(18)19)4-9(10)14(20)21/h2-4,8H,5H2,1H3,(H,12,15)(H,16,17)/t8-/m0/s1
InChIKeyDKCMLZRPNSABAR-QMMMGPOBSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
NAc-DNP-Cys (CHEBI:7426) is a N-acyl-amino acid (CHEBI:51569)
Synonyms  Source
NAc-DNP-CysKEGG COMPOUND
N-Acetyl 2,4-dinitrophenyl cysteineKEGG COMPOUND
N-Acetyl-S-(2,4-dinitrophenyl)-L-cysteineKEGG COMPOUND
Manual XrefsDatabases
C11605KEGG COMPOUND
Registry NumbersSources
CAS:35897-25-7KEGG COMPOUND