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CHEBI:61113 - α,N-(ε,N-DNP-aminocaproyl)-ε,N-DNP-L-lysine dicyclohexylammonium salt

ChEBI IDCHEBI:61113
ChEBI Nameα,N-(ε,N-DNP-aminocaproyl)-ε,N-DNP-L-lysine dicyclohexylammonium salt
Stars
ASCII Namealpha,N-(epsilon,N-DNP-aminocaproyl)-epsilon,N-DNP-L-lysine dicyclohexylammonium salt
DefinitionAn organoammonium salt where dicyclohexylammonium is the cation and α,N-(ε,N-DNP-aminocaproyl)-ε,N-DNP-L-lysinate is the counterion.
Last Modified18 February 2011
Submitterzjosephs
DownloadsMolfile
FormulaC12H24N.C24H28N7O11
Net Charge0
Average Mass772.857
Monoisotopic Mass772.37555
SMILESC1CCC([NH2+]C2CCCCC2)CC1.O=C(CCCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]
InChIInChI=1S/C24H29N7O11.C12H23N/c32-23(7-2-1-4-12-25-18-10-8-16(28(35)36)14-21(18)30(39)40)27-20(24(33)34)6-3-5-13-26-19-11-9-17(29(37)38)15-22(19)31(41)42;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8-11,14-15,20,25-26H,1-7,12-13H2,(H,27,32)(H,33,34);11-13H,1-10H2/t20-;/m0./s1
InChIKeyUTICXMJDWITBEH-BDQAORGHSA-N
Roles Classification
Biological Role:
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
ChEBI Ontology
Outgoing Relation(s)
α,N-(ε,N-DNP-aminocaproyl)-ε,N-DNP-L-lysine dicyclohexylammonium salt (CHEBI:61113) has role hapten (CHEBI:59174)
α,N-(ε,N-DNP-aminocaproyl)-ε,N-DNP-L-lysine dicyclohexylammonium salt (CHEBI:61113) is a organoammonium salt (CHEBI:46850)
IUPAC Names 
N-cyclohexylcyclohexanaminium N6-(2,4-dinitrophenyl)-N2-{6-[(2,4-dinitrophenyl)amino]hexanoyl}-L-lysinate
N-cyclohexylcyclohexanaminium (2S)-6-[(2,4-dinitrophenyl)amino]-2-({6-[(2,4-dinitrophenyl)amino]hexanoyl}amino)hexanoate
Synonyms  Source
dicyclohexylammonium N6-(2,4-dinitrophenyl)-N2-{6-[(2,4-dinitrophenyl)amino]hexanoyl}-L-lysinateChEBI
DNP-DNPChEBI
Citations