EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:63119 - N-[6-(DNCP-amino)hexanoyl]-β-D-glucosamine

ChEBI IDCHEBI:63119
ChEBI NameN-[6-(DNCP-amino)hexanoyl]-β-D-glucosamine
Stars
ASCII NameN-[6-(DNCP-amino)hexanoyl]-beta-D-glucosamine
DefinitionAn N-acyl-β-D-glucosamine where the N-acyl group is specified as 6-[(2-carboxy-4,6-dinitrophenyl)amino]hexanoyl.
Last Modified27 October 2011
SubmitterSteve
DownloadsMolfile
FormulaC19H26N4O12
Net Charge0
Average Mass502.433
Monoisotopic Mass502.15472
SMILESO=C(CCCCCNc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C19H26N4O12/c24-8-12-16(26)17(27)15(19(30)35-12)21-13(25)4-2-1-3-5-20-14-10(18(28)29)6-9(22(31)32)7-11(14)23(33)34/h6-7,12,15-17,19-20,24,26-27,30H,1-5,8H2,(H,21,25)(H,28,29)/t12-,15-,16-,17-,19-/m1/s1
InChIKeyACEVZSZSKUVYND-QLXPXKAKSA-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)
N-[6-(DNCP-amino)hexanoyl]-β-D-glucosamine (CHEBI:63119) is a C-nitro compound (CHEBI:35716)
N-[6-(DNCP-amino)hexanoyl]-β-D-glucosamine (CHEBI:63119) is a N-acyl-β-D-glucosamine (CHEBI:63121)
N-[6-(DNCP-amino)hexanoyl]-β-D-glucosamine (CHEBI:63119) is a benzoic acids (CHEBI:22723)
IUPAC Name 
2-({6-[(2-carboxy-4,6-dinitrophenyl)amino]hexanoyl}amino)-2-deoxy-β-D-glucopyranose
Citations