EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:40568 - DIPHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER

Default Structure
ChEBI IDCHEBI:40568
ChEBI NameDIPHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC11H19N5O15P4
Net Charge0
Average Mass585.189
Monoisotopic Mass584.98281
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])C([H])([H])[P@](=O)(O[H])OP(=O)(O[H])O[H]
InChIInChI=1S/C11H19N5O15P4/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(29-11)1-28-35(26,27)31-33(21,22)4-32(19,20)30-34(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H,26,27)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1
InChIKeyARRGHMSEJJFDME-IOSLPCCCSA-N
ChEBI Ontology
Outgoing Relation(s)
DIPHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER (CHEBI:40568) is a unclassifieds (CHEBI:27189)
Synonyms  Source
5'-O-[(R)-hydroxy{[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]oxy}phosphoryl]adenosinePDBeChem
DIPHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTERPDBeChem
Manual XrefsDatabases
ACQPDBeChem