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CHEBI:177051 - Adenosine_Diphosphate

ChEBI IDCHEBI:177051
ChEBI NameAdenosine_Diphosphate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H15N5O10P2
Net Charge0
Average Mass427.203
Monoisotopic Mass427.02941
SMILESNc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)
InChIKeyXTWYTFMLZFPYCI-UHFFFAOYSA-N
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
Adenosine_Diphosphate (CHEBI:177051) is a purine ribonucleoside diphosphate (CHEBI:26396)
IUPAC Name 
[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Manual XrefsDatabases
192ChemSpider
Registry NumbersSources
CAS:2092-65-1ChemIDplus