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CHEBI:40731 - DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER

Default Structure
ChEBI IDCHEBI:40731
ChEBI NameDIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC11H18N5O12P3
Net Charge0
Average Mass505.210
Monoisotopic Mass505.01648
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])C([H])([H])[P@](=O)(O[H])OP(=O)(O[H])O[H]
InChIInChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1
InChIKeyCAWZRIXWFRFUQB-IOSLPCCCSA-N
ChEBI Ontology
Outgoing Relation(s)
DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER (CHEBI:40731) is a unclassifieds (CHEBI:27189)
Synonyms  Source
5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosinePDBeChem
DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTERPDBeChem
Manual XrefsDatabases
APCPDBeChem