EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:45997 - N-1,2,3,4-TETRAHYDRONAPHTH-1-YL-2'-[3,5-DIMETHOXYBENZAMIDO]-2'-DEOXY-ADENOSINE

Default Structure
ChEBI IDCHEBI:45997
ChEBI NameN-1,2,3,4-TETRAHYDRONAPHTH-1-YL-2'-[3,5-DIMETHOXYBENZAMIDO]-2'-DEOXY-ADENOSINE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC29H32N6O6
Net Charge0
Average Mass560.611
Monoisotopic Mass560.23833
SMILES[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(n2c([H])nc3c(N([H])[C@@]4([H])c5c([H])c([H])c([H])c([H])c5C([H])([H])C([H])([H])C4([H])[H])nc([H])nc32)[C@]([H])(N([H])C(=O)c2c([H])c(OC([H])([H])[H])c([H])c(OC([H])([H])[H])c2[H])[C@]1([H])O[H]
InChIInChI=1S/C29H32N6O6/c1-39-18-10-17(11-19(12-18)40-2)28(38)34-23-25(37)22(13-36)41-29(23)35-15-32-24-26(30-14-31-27(24)35)33-21-9-5-7-16-6-3-4-8-20(16)21/h3-4,6,8,10-12,14-15,21-23,25,29,36-37H,5,7,9,13H2,1-2H3,(H,34,38)(H,30,31,33)/t21-,22-,23-,25-,29-/m1/s1
InChIKeyFDZQGEIYGFPMOB-ZUURFMEUSA-N
ChEBI Ontology
Outgoing Relation(s)
N-1,2,3,4-TETRAHYDRONAPHTH-1-YL-2'-[3,5-DIMETHOXYBENZAMIDO]-2'-DEOXY-ADENOSINE (CHEBI:45997) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2'-deoxy-2'-{[(3,5-dimethoxyphenyl)carbonyl]amino}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]adenosinePDBeChem
N-1,2,3,4-TETRAHYDRONAPHTH-1-YL-2'-[3,5-DIMETHOXYBENZAMIDO]-2'-DEOXY-ADENOSINEPDBeChem
Manual XrefsDatabases
TNDPDBeChem