Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 01:58:00 UTC
Update Date2022-08-31 18:27:24 UTC
Metabolite IDMMDBc0031997
Metabolite Identification
Common NameAdenosine diphosphate
DescriptionAdenosine diphosphate, abbreviated ADP, is a nucleotide. It is an ester of pyrophosphoric acid with the nucleotide adenine. ADP consists of the pyrophosphate group, the pentose sugar ribose, and the nucleobase adenine.
Structure
Synonyms
ValueSource
Adenosine diphosphoric acidGenerator
Molecular FormulaC10H15N5O10P2
Average Mass427.2011
Monoisotopic Mass427.029414749
IUPAC Name[({[(2S,3R,4S,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
Traditional Name{[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxyphosphonic acid
CAS Registry NumberNot Available
SMILES
[H][C@@]1(COP(O)(=O)OP(O)(O)=O)O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])O
InChI Identifier
InChI=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)/t4-,6-,7-,10-/m0/s1
InChI KeyXTWYTFMLZFPYCI-DEGSGYPDSA-N