EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:44022 - 2'(3')-O-N-METHYLANTHRANILOYL-ADENOSINE-5'-DIPHOSPHATE

Default Structure
ChEBI IDCHEBI:44022
ChEBI Name2'(3')-O-N-METHYLANTHRANILOYL-ADENOSINE-5'-DIPHOSPHATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC18H22N6O10P2
Net Charge0
Average Mass544.354
Monoisotopic Mass544.08726
SMILES[H]OP(=O)(O[H])O[P@@](=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(n2c([H])nc3c(N([H])[H])nc([H])nc32)C([H])([H])[C@]1([H])OC(=O)c1c([H])c([H])c([H])c([H])c1N([H])C([H])([H])[H]
InChIInChI=1S/C18H22N6O10P2/c1-20-11-5-3-2-4-10(11)18(25)33-12-6-14(24-9-23-15-16(19)21-8-22-17(15)24)32-13(12)7-31-36(29,30)34-35(26,27)28/h2-5,8-9,12-14,20H,6-7H2,1H3,(H,29,30)(H2,19,21,22)(H2,26,27,28)/t12-,13+,14+/m0/s1
InChIKeyQPKUEBLEGWBRHC-BFHYXJOUSA-N
ChEBI Ontology
Outgoing Relation(s)
2'(3')-O-N-METHYLANTHRANILOYL-ADENOSINE-5'-DIPHOSPHATE (CHEBI:44022) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2'(3')-O-N-METHYLANTHRANILOYL-ADENOSINE-5'-DIPHOSPHATEPDBeChem
2'-deoxy-3'-O-{[2-(methylamino)phenyl]carbonyl}adenosine 5'-(trihydrogen diphosphate)PDBeChem
Manual XrefsDatabases
MNTPDBeChem