EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:40777 - BIS(ADENOSINE)-5'-PENTAPHOSPHATE

Default Structure
ChEBI IDCHEBI:40777
ChEBI NameBIS(ADENOSINE)-5'-PENTAPHOSPHATE
Stars
DownloadsMolfile
FormulaC20H29N10O22P5
Net Charge0
Average Mass916.370
Monoisotopic Mass916.01460
SMILES[H]O[C@@]1([H])[C@@]([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])OP(=O)(O[H])O[P@@](=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])(O[H])[C@]1([H])O[H]
InChIInChI=1S/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
InChIKeyOIMACDRJUANHTJ-XPWFQUROSA-N
ChEBI Ontology
Outgoing Relation(s)
BIS(ADENOSINE)-5'-PENTAPHOSPHATE (CHEBI:40777) is a unclassifieds (CHEBI:27189)
Synonym  Source
BIS(ADENOSINE)-5'-PENTAPHOSPHATEPDBeChem
Manual XrefsDatabases
AP5PDBeChem