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Adenosine 3',5'-diphosphate (PC000237)

Record Information
Version1.0
Creation date2015-10-09 22:29:23 UTC
Update date2017-01-19 02:36:17 UTC
FoodComEx IDPC000237
FoodDB RecordFDB021887
Chemical Information
NameAdenosine 3',5'-diphosphate
DescriptionAdenosine 3',5'-diphosphate, also known as 3-phosphoadenosine 5-phosphate or 3'-phosphoadenylate, belongs to the class of organic compounds known as purine ribonucleoside 3',5'-bisphosphates. These are purine ribobucleotides with one phosphate group attached to 3' and 5' hydroxyl groups of the ribose moiety. Adenosine 3',5'-diphosphate is a strong basic compound (based on its pKa). Adenosine 3',5'-diphosphate exists in all living species, ranging from bacteria to humans. Outside of the human body, Adenosine 3',5'-diphosphate has been detected, but not quantified in, several different foods, such as scarlet beans, tronchuda cabbages, horseradish tree, shallots, and lindens. This could make adenosine 3',5'-diphosphate a potential biomarker for the consumption of these foods. An adenosine bisphosphate having two monophosphate groups at the 3'- and 5'-positions.
CAS Number1053-73-2
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
3-Oadenosine 5-ateHMDB
3-Phosphoadenosine 5-phosphatehmdb
3,5-ADPhmdb
3,5-DioadenosineHMDB
3,5-Diphosphoadenosinehmdb
3'-OadenylateChEBI
3'-Oadenylic acidGenerator
3'-Oryl-AMPHMDB
3'-Phosphoryl-AMPhmdb
5-(Dihydrogen ate) 3-adenylateHMDB
5-(Dihydrogen ate)3'-adenylic acidHMDB
5-(dihydrogen phosphate) 3-Adenylatehmdb
5-(dihydrogen phosphate)3'-Adenylic acidhmdb
Adenosine 3,5-bishmdb
Adenosine 3,5-bisateHMDB
Adenosine 3,5-bisphosphatehmdb
Adenosine 3,5-diphosphic acidhmdb
Adenosine 3',5'-bisateChEBI
Adenosine 3',5'-bisic acidGenerator
adenosine 3',5'-bisphosphatehmdb
Oadenosine ateChEBI
Oadenosine ic acidGenerator
PAPChEBI
Chemical FormulaC10H15N5O10P2
IUPAC name{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}phosphonic acid
InChI IdentifierInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
InChI KeyWHTCPDAXWFLDIH-KQYNXXCUSA-N
Isomeric SMILESNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O
Average Molecular Weight427.2011
Monoisotopic Molecular Weight427.029414749
Chemical Taxonomy
Description Belongs to the class of organic compounds known as purine ribonucleoside 3',5'-bisphosphates. These are purine ribobucleotides with one phosphate group attached to 3' and 5' hydroxyl groups of the ribose moiety.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPurine nucleotides
Sub ClassPurine ribonucleotides
Direct ParentPurine ribonucleoside 3',5'-bisphosphates
Alternative Parents
Substituents
  • Purine ribonucleoside 3',5'-bisphosphate
  • Purine ribonucleoside monophosphate
  • Pentose phosphate
  • Ribonucleoside 3'-phosphate
  • Pentose-5-phosphate
  • Glycosyl compound
  • N-glycosyl compound
  • 6-aminopurine
  • Pentose monosaccharide
  • Monosaccharide phosphate
  • Imidazopyrimidine
  • Purine
  • Aminopyrimidine
  • Monoalkyl phosphate
  • Organic phosphoric acid derivative
  • N-substituted imidazole
  • Phosphoric acid ester
  • Monosaccharide
  • Imidolactam
  • Pyrimidine
  • Alkyl phosphate
  • Imidazole
  • Azole
  • Tetrahydrofuran
  • Heteroaromatic compound
  • Secondary alcohol
  • Oxacycle
  • Azacycle
  • Organoheterocyclic compound
  • Amine
  • Alcohol
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 5 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
Not Available