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CHEBI:39542 - THIOPHOSPHORIC ACID O-((ADENOSYL-PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER

Default Structure
ChEBI IDCHEBI:39542
ChEBI NameTHIOPHOSPHORIC ACID O-((ADENOSYL-PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC12H19N6O13P3S
Net Charge0
Average Mass580.302
Monoisotopic Mass579.99437
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])O[P@@](=O)(O[H])SC([H])([H])C(=O)N([H])[H]
InChIInChI=1S/C12H19N6O13P3S/c13-6(19)2-35-34(26,27)31-33(24,25)30-32(22,23)28-1-5-8(20)9(21)12(29-5)18-4-17-7-10(14)15-3-16-11(7)18/h3-5,8-9,12,20-21H,1-2H2,(H2,13,19)(H,22,23)(H,24,25)(H,26,27)(H2,14,15,16)/t5-,8-,9-,12-/m1/s1
InChIKeyZAOVTTQZIXCKOL-JJNLEZRASA-N
ChEBI Ontology
Outgoing Relation(s)
THIOPHOSPHORIC ACID O-((ADENOSYL-PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER (CHEBI:39542) is a unclassifieds (CHEBI:27189)
Synonyms  Source
5'-O-[(S)-{[(S)-{[(R)-[(2-amino-2-oxoethyl)sulfanyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosinePDBeChem
THIOPHOSPHORIC ACID O-((ADENOSYL-PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTERPDBeChem
Manual XrefsDatabases
112PDBeChem