EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:39840 - 3-AMINOPYRIDINE-ADENINE DINUCLEOTIDE PHOSPHATE

Default Structure
ChEBI IDCHEBI:39840
ChEBI Name3-AMINOPYRIDINE-ADENINE DINUCLEOTIDE PHOSPHATE
Stars
DownloadsMolfile
FormulaC20H29N7O16P3
Net Charge+1
Average Mass716.407
Monoisotopic Mass716.08781
SMILES[H]O[C@@]1([H])[C@@]([H])(OP(=O)(O[H])O[H])[C@]([H])(n2c([H])nc3c(N([H])[H])nc([H])nc32)O[C@]1([H])C([H])([H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([n+]2c([H])c([H])c([H])c(N([H])[H])c2[H])[C@]([H])(O[H])[C@]1([H])O[H]
InChIInChI=1S/C20H28N7O16P3/c21-9-2-1-3-26(4-9)19-15(30)13(28)10(40-19)5-38-45(34,35)43-46(36,37)39-6-11-14(29)16(42-44(31,32)33)20(41-11)27-8-25-12-17(22)23-7-24-18(12)27/h1-4,7-8,10-11,13-16,19-20,28-30H,5-6,21H2,(H5-,22,23,24,31,32,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1
InChIKeyJRGQEVHOKKZPIX-HISDBWNOSA-O
ChEBI Ontology
Outgoing Relation(s)
3-AMINOPYRIDINE-ADENINE DINUCLEOTIDE PHOSPHATE (CHEBI:39840) is a unclassifieds (CHEBI:27189)
Synonym  Source
3-AMINOPYRIDINE-ADENINE DINUCLEOTIDE PHOSPHATEPDBeChem
Manual XrefsDatabases
3AAPDBeChem