EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:53324 - 6-azido-6-deoxycellulose

ChEBI IDCHEBI:53324
ChEBI Name6-azido-6-deoxycellulose
Stars
DefinitionA (1→4)-β-D-glucan compound composed of repeating β-(1→4)-linked 6-azido-6-deoxyglucose units.
Last Modified20 January 2010
Submitterburchh
DownloadsMolfile
Formula(C6H9N3O4)n.C12H20N6O9
Net Charge0
Average Mass579.480
Monoisotopic Mass579.18848
SMILES[N-]=[N+]=NC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CN=[N+]=[N-])O[C@@H]2CN=[N+]=[N-])[C@H](O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/1,3,2/[a2122h-1b_1-5_6*N=N=N]/1-1-1/a4-b1_b4-c1
InChIInChI=1S/C18H29N9O13/c19-25-22-1-4-7(28)8(29)12(33)17(37-4)40-15-6(3-24-27-21)38-18(13(34)10(15)31)39-14-5(2-23-26-20)36-16(35)11(32)9(14)30/h4-18,28-35H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16-,17+,18+/m1/s1
InChIKeyMQZBNZOWCNPIKP-CSHPIKHBSA-N
ChEBI Ontology
Outgoing Relation(s)
6-azido-6-deoxycellulose (CHEBI:53324) has functional parent (1→4)-β-D-glucan (CHEBI:18246)
6-azido-6-deoxycellulose (CHEBI:53324) is a β-D-glucan (CHEBI:28793)
IUPAC Name 
(1→4)-6-azido-6-deoxy-β-D-glucopyranan
Registry NumbersSources
Beilstein:10148389Beilstein