Showing Metabocard for 3'-phosphoadenylyl sulfate (BASm0003383)

Not AvailableNot AvailableNot Available
Common Name3'-phosphoadenylyl sulfate
DescriptionPhosphoadenosine-5'-phosphosulfate, also known as paps or 3'-phosphonato-5'-adenylyl sulfate, is a member of the class of compounds known as purine ribonucleoside 3',5'-bisphosphates. Purine ribonucleoside 3',5'-bisphosphates are purine ribobucleotides with one phosphate group attached to 3' and 5' hydroxyl groups of the ribose moiety. Phosphoadenosine-5'-phosphosulfate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). Phosphoadenosine-5'-phosphosulfate can be found in a number of food items such as cloves, abiyuch, cocoa bean, and jute, which makes phosphoadenosine-5'-phosphosulfate a potential biomarker for the consumption of these food products.
Structure
Molecular FormulaC10H11N5O13P2S
Average Mass503.23000
Monoisotopic Mass502.95712
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OS(=O)(=O)[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O
InChI IdentifierInChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/p-4/t4-,6-,7-,10-/m1/s1
InChI KeyGACDQMDRPRGCTN-KQYNXXCUSA-J
CHEBI IDCHEBI:58339
HMDB IDHMDB0304464
StateNot Available
Water SolubilityNot Available
logSNot Available
pKa (Strongest Acidic)Not Available
pKa (Strongest Basic)Not Available
Hydrogen Acceptor CountNot Available
Hydrogen Donor CountNot Available
Rotatable Bond CountNot Available
Physiological ChargeNot Available
Formal ChargeNot Available
PolarizabilityNot Available

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