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CHEBI:45497 - ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE

Default Structure
ChEBI IDCHEBI:45497
ChEBI NameADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC10H16N5O12P3S
Net Charge0
Average Mass523.250
Monoisotopic Mass522.97290
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(=S)(O[H])O[H]
InChIInChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1
InChIKeyNLTUCYMLOPLUHL-KQYNXXCUSA-N
ChEBI Ontology
Outgoing Relation(s)
ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE (CHEBI:45497) is a unclassifieds (CHEBI:27189)
Synonyms  Source
5'-O-[(S)-hydroxy{[(R)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]adenosinePDBeChem
ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATEPDBeChem
Manual XrefsDatabases
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