Showing Metabocard for 2-deoxy-alpha-D-ribose 1-phosphate (BASm0002535)

Common Name2-deoxy-alpha-d-ribose 1-phosphate
DescriptionDeoxyribose 1-phosphate is an intermediate in the metabolism of Pyrimidine. It is a substrate for Purine nucleoside phosphorylase and Thymidine phosphorylase.
Structure
Molecular FormulaC5H11O7P
Average Mass214.11040
Monoisotopic Mass214.02424
IUPAC Name{[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}phosphonic acid
Traditional Name[(4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyphosphonic acid
CAS Registry Number17210-42-3
SMILESO=P([O-])([O-])O[C@@H]1C[C@H](O)[C@@H](CO)O1
InChI IdentifierInChI=1S/C5H11O7P/c6-2-4-3(7)1-5(11-4)12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5?/m0/s1
InChI KeyKBDKAJNTYKVSEK-PYHARJCCSA-N
CHEBI IDCHEBI:57259
HMDB IDHMDB0001351
Pathways
NameSMPDB/PathBank
Pyrimidine metabolism
pentose phosphate pathway
Purine metabolism
Adenosine Deaminase Deficiency
Adenylosuccinate Lyase Deficiency
AICA-Ribosiduria
Beta Ureidopropionase Deficiency
Dihydropyrimidinase Deficiency
MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy)
Molybdenum Cofactor Deficiency
Purine Nucleoside Phosphorylase Deficiency
UMP Synthase Deficiency (Orotic Aciduria)
Xanthine Dehydrogenase Deficiency (Xanthinuria)
Lesch-Nyhan Syndrome (LNS)
Gout or Kelley-Seegmiller Syndrome
Azathioprine Action Pathway
Mercaptopurine Action Pathway
Thioguanine Action Pathway
Xanthinuria type I
Xanthinuria type II
Glucose-6-phosphate dehydrogenase deficiency
Ribose-5-phosphate isomerase deficiency
Transaldolase deficiency
Adenine phosphoribosyltransferase deficiency (APRT)
Mitochondrial DNA depletion syndrome
Myoadenylate deaminase deficiency
StateSolid
Water Solubility3.76e+01 g/l
logP-2.14
logS-0.76
pKa (Strongest Acidic)1.37
pKa (Strongest Basic)-2.98
Hydrogen Acceptor Count6
Hydrogen Donor Count4
Polar Surface Area116.45 Ų
Rotatable Bond Count3
Physiological Charge-2
Formal Charge0
Refractivity39.32 m³·mol⁻¹
Polarizability17.21

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